SCHEMBL3676590

SCHEMBL3676590

COC(=O)c1cccc(CC(=O)O)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
ABCB11 O95342 1/20 0.55
PTGS1 P23219 1/20 0.55
ADORA1 P30542 1/20 0.55
PTGS2 P35354 1/20 0.55
ALDH1A1 P00352 3/20 0.50
CFTR P13569 1/20 0.50
HSD17B10 Q99714 1/20 0.50
BCAT2 O15382 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
AKR1B1 P15121 1/20 0.42

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
SCHEMBL29424088 0.85 ALDH1A1 (0.55) LMNAALDH1A1CFTRHSD17B10MAPK8
SCHEMBL9851634 0.85 ALDH1A1 (0.55) LMNAALDH1A1CFTRHSD17B10MAPK8
SCHEMBL15528607 0.85 ALDH1A1 (0.55) LMNAALDH1A1CFTRHSD17B10MAPK8
SCHEMBL1035344 0.83 ALDH1A1 (0.53) LMNAALDH1A1CFTRHSD17B10MAPK8
SCHEMBL999348 0.83 ABCB11 (0.51) LMNAABCB11PTGS1ADORA1PTGS2
SCHEMBL1162462 0.83 ALDH1A1 (0.60) LMNAALDH1A1CFTRHSD17B10BCAT2
SCHEMBL15845989 0.82 ALDH1A1 (0.51) LMNAALDH1A1CFTRHSD17B10MAPK8
SCHEMBL8172682 0.82 SMN1; SMN2 (0.48) LMNAPTGS2ALDH1A1CFTRHSD17B10
Ethylene SCHEMBL7416648 0.82 ALDH1A1 (0.45) LMNAABCB11PTGS1ADORA1PTGS2
SCHEMBL28164371 0.81 ABCB11 (0.59) LMNAABCB11PTGS1ADORA1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103796992-A Guanidinobenzoic acid compound ASTELLAS PHARMA INC 2014-05-14 CN claimed
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
CN-102427731-B Hepatitis c virus inhibitors ENANTA PHARM INC 2015-05-13 CN disclosed
CN-103796992-A Guanidinobenzoic acid compound ASTELLAS PHARMA INC 2014-05-14 CN disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 LMNA 2800/4885ABCB11 23/4885PTGS1 760/4885

“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.