SCHEMBL1145705

SCHEMBL1145705

Cc1cc(C)cc(C[S])c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
IDH1 O75874 1/20 0.34
ACHE P22303 1/20 0.33
MAOA P21397 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
TPMT P51580 1/20 0.32
TACR1 P25103 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL1706527 0.75 ALDH1A1 (0.40) ALDH1A1TSHRPGK1PGK2CYP11B1
SCHEMBL9306852 0.75 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL3588189 0.73 IDH1 (0.46) ALDH1A1TSHRPGK1PGK2CYP11B1
SCHEMBL3690305 0.73 ALDH1A1 (0.44) ALDH1A1TSHRPGK1PGK2CYP11B1
SCHEMBL1145096 0.73
SCHEMBL31374446 0.73
SCHEMBL271754 0.71 ALDH1A1 (0.42) ALDH1A1TSHRPGK1PGK2CYP11B1
SCHEMBL26115 0.71
SCHEMBL341533 0.71 ALDH1A1 (0.67) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL11450257 0.69 CA1 (0.50) ALDH1A1ACHEMAOACISD1CA1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-7186667-B2 Catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-06 US disclosed
US-7115539-B2 Metal compound, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-7084219-B2 Contact product, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-01 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US disclosed
US-20010053832-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-20 US disclosed
EP-1134234-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-19 EP disclosed
EP-0882720-B1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2001-08-22 EP disclosed
EP-1081167-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-07 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-6127538-A HYDROXYALKYLATION OF A TRIAMINO TRIAZINE DERIVATIVE HAVING AT LEAST ONE REACTIVE NITROGEN BY REACTING WHILE HEATING WITH AN ALKANEDIOL OR ITS ADDUCT IN THE PRESENCE OF HYDROGEN AND A METAL CATALYST; BY-PRODUCT INHIBITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-03 US disclosed
EP-0882720-A1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-12-09 EP disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP 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 (4 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 ALDH1A1 4339/4885TSHR 4439/4885PGK1 369/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ALDH1A1 2435/4885TSHR 348/4885PGK1 1076/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ALDH1A1 3084/4885TSHR 267/4885PGK1 732/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR ALDH1A1 2333/4885TSHR 161/4885PGK1 1340/4885

“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.