SCHEMBL3552677

SCHEMBL3552677

COc1cccc(-c2oncc2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
TDO2 P48775 1/20 0.51
GPR35 Q9HC97 3/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
PIN1 Q13526 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL11382098 0.83 ALDH1A1 (0.57) ALDH1A1HPGDTDO2LMNATP53
SCHEMBL3546598 0.82 ALDH1A1 (0.56) ALDH1A1HPGDGPR35LMNANPC1
SCHEMBL3171124 0.81 IP6K1 (0.51) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL19568986 0.79 TDO2 (0.52) ALDH1A1HPGDTDO2NPC1TP53
SCHEMBL544183 0.78 PTPN1 (0.47) ALDH1A1TDO2NPC1TP53RAB9A
SCHEMBL3549276 0.78 DCLRE1B (0.47) ALDH1A1GPR35TP53PIN1KDM4E
SCHEMBL3178747 0.78 NPC1 (0.50) HPGDTDO2NPC1TP53NFKB1
SCHEMBL381345 0.76 FAAH (0.55) ALDH1A1HPGDGPR35LMNATP53
SCHEMBL19568984 0.76 TDO2 (0.52) ALDH1A1HPGDTDO2NPC1TP53
SCHEMBL3553673 0.76 SCD5 (0.52) ALDH1A1HPGDLMNANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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 (1 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 ALDH1A1 86/4885HPGD 165/4885TDO2 1501/4885

“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.