SCHEMBL833899

SCHEMBL833899

CCCC(NC(=O)OC(C)(C)C)C(=O)c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
CTSK P43235 10/20 0.54
CTSS P25774 5/20 0.54
CTSL P07711 1/20 0.52
CACNA1B Q00975 1/20 0.46
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PARP1 P09874 1/20 0.42
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL833900 1.00 TAS1R3 (0.56) TAS1R3TAS1R1CTSKCTSSCTSL
SCHEMBL835126 0.91 TAS1R3 (0.49) TAS1R3TAS1R1CTSKCTSSCTSL
SCHEMBL835125 0.91 TAS1R3 (0.49) TAS1R3TAS1R1CTSKCTSSCTSL
SCHEMBL836148 0.84 CTSK (0.55) CTSKCTSSCTSLPPARGPPARA
SCHEMBL836149 0.84 CTSK (0.55) CTSKCTSSCTSLPPARGPPARA
SCHEMBL15632172 0.82 GPR139 (0.50) TAS1R3TAS1R1CACNA1BCES2CES1
SCHEMBL30695634 0.82 GPR139 (0.50) TAS1R3TAS1R1CACNA1BCES2CES1
SCHEMBL851210 0.82 GPR139 (0.50) TAS1R3TAS1R1CACNA1BCES2CES1
SCHEMBL10280267 0.82 GPR139 (0.50) TAS1R3TAS1R1CACNA1BCES2CES1
SCHEMBL7048516 0.78 CTSS (0.54) CTSKCTSSCES2CES1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 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 (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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 TAS1R3 3302/4885TAS1R1 3378/4885CTSK 659/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 TAS1R3 3302/4885TAS1R1 3378/4885CTSK 659/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 TAS1R3 3302/4885TAS1R1 3378/4885CTSK 659/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 TAS1R3 3302/4885TAS1R1 3378/4885CTSK 659/4885

“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.