SCHEMBL6746646

SCHEMBL6746646

Nc1cccc(COCC(=O)[S])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
CYP19A1 P11511 2/20 0.41
CA12 O43570 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HSD11B1 P28845 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
GRM5 P41594 1/20 0.36
ACHE P22303 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15152717 0.85 THRA (0.51) THRATHRBMAOBMAOACYP19A1
SCHEMBL366865 0.80 MAOB (0.56) THRATHRBMAOBMAOACYP19A1
SCHEMBL18217412 0.76 MAOB (0.52) THRATHRBMAOBMAOACYP19A1
SCHEMBL7738359 0.75 THRA (0.56) THRATHRBMAOBMAOACYP19A1
SCHEMBL8104566 0.75 FAAH (0.41) THRATHRBMAOBMAOACYP19A1
SCHEMBL31568426 0.74 TSHR (0.62) THRATHRBMAOBMAOACYP19A1
SCHEMBL22469788 0.74 TSHR (0.62) THRATHRBMAOBMAOACYP19A1
SCHEMBL31469078 0.74 MAOB (0.46) THRATHRBMAOBMAOACYP19A1
SCHEMBL31620922 0.74 MAOB (0.50) THRATHRBMAOBMAOACYP19A1
SCHEMBL3881721 0.74 THRA (0.47) THRATHRBMAOBMAOACYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723753-B2 TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES. PHARMACIA CORPORATION 2004-04-20 US disclosed
US-6699898-B2 METHOD OF TREATING CORONARY ARTERY DISEASE OR OTHER CETP-MEDIATED DISORDERS IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OF ONE OF CLAIMS PHARMACIA CORPORATION GLOBAL PATENT DEPARTMENT 2004-03-02 US disclosed
US-6677375-B2 TREATING CARDIOVASCULAR DISEASES PHARMACIA CORPORATION 2004-01-13 US disclosed
US-6677380-B2 ANTILIPEMIC AGENTS SUCH AS 3(3-(4-CHLORO-3-ETHYL-PHENOXY)-PHENYL)((3-(1,1,2,2 -TETRAFLUOROETHOXY)PHENYL)METHYL))AMINO)-1,1,1-TRIFLURO-2-PROPANTHIOL, USED FOR PROPHLAXIS OF CARDIOVASCULAR DISORDERS AND ATHEROSCLEROSIS PHARMACIA CORPORATION 2004-01-13 US disclosed
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-07-03 US disclosed
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-07-03 US disclosed
US-6586433-B2 Anticholesterol agents; antilipemic agents; cardiovascular disorders PHARMACIA CORPORATION 2003-07-01 US disclosed
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-26 US disclosed
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-12 US disclosed
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-05 US disclosed
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-01 US disclosed
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-02-13 US disclosed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US disclosed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US disclosed
US-6476057-B1 ANTICHOLESTEROL AGENTS; ANTILIPEMIC AGENTS; CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-11-05 US disclosed
US-6462092-B1 SUCH AS 3-((3-FLUOROPHENYL)-((3-(TRIFLUOROMETHYL)PHENYL)-METHYL)AMINO)-1,1,1 -TRIFLUORO-2-PROPANOL; CARDIOVASCULAR DISEASE, I.E. ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES G.D. SEARLE & CO. 2002-10-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT THRA 1960/4885THRB 1423/4885MAOB 2046/4885
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT THRA 1960/4885THRB 1423/4885MAOB 2046/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP THRA 2257/4885THRB 1738/4885MAOB 2495/4885
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT THRA 1960/4885THRB 1423/4885MAOB 2046/4885
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT THRA 1960/4885THRB 1423/4885MAOB 2046/4885
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT THRA 1960/4885THRB 1423/4885MAOB 2046/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP THRA 1082/4885THRB 496/4885MAOB 1050/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP THRA 2735/4885THRB 1975/4885MAOB 2826/4885
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT THRA 1960/4885THRB 1423/4885MAOB 2046/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.