SCHEMBL1988431

SCHEMBL1988431

COc1c(N)cc(C(=O)O)cc1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TPMT P51580 5/20 0.50
▸ PKM P14618 3/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA6 P23280 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ CA3 P07451 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ PTGS2 P35354 1/20 0.45
▸ TUBB4A P04350 1/20 0.44

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
SCHEMBL5807605 0.88 TSHR (0.64) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL28496437 0.86 TPMT (0.66) TSHRALDH1A1TPMTPKMCA12
SCHEMBL1052202 0.86 SMN1; SMN2 (0.48) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL15673397 0.85 TSHR (0.65) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL5924145 0.82 TPMT (0.53) KDM4EALDH1A1GAATPMTPKM
3,4,5-Triacetoxybenzoic Acid SCHEMBL716891 0.81 KDM4E (0.63) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL1561559 0.81 TSHR (0.55) TSHRKDM4EALDH1A1GAARAB9A
3,4,5-Triacetoxybenzoic Acid SCHEMBL9491767 0.79 KDM4E (0.61) TSHRKDM4EALDH1A1GAARAB9A
3,4,5-Triacetoxybenzoic Acid SCHEMBL10620428 0.79 KDM4E (0.61) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL668055 0.78 TSHR (0.64) TSHRKDM4EALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 — — EP disclosed
US-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-09-22 — — US disclosed
US-9328071-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2016-05-03 — — US disclosed
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-16 — — US disclosed
US-8802720-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-08-12 — — US disclosed
US-20130225605-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-08-29 — — US disclosed
US-8445530-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-05-21 — — US disclosed
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 — — US disclosed
US-8362073-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-01-29 — — US disclosed
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 — — 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 (5 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-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG TSHR 2416/4885KDM4E 938/4885ALDH1A1 2149/4885
US-20130225605-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG TSHR 2416/4885KDM4E 938/4885ALDH1A1 2149/4885
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG TSHR 2416/4885KDM4E 938/4885ALDH1A1 2149/4885
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG TSHR 2416/4885KDM4E 938/4885ALDH1A1 2149/4885
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG TSHR 2416/4885KDM4E 938/4885ALDH1A1 2149/4885

“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.

Send feedback