SCHEMBL1561380

SCHEMBL1561380

COC(=O)C1(NC(=O)c2ccc(C(F)(F)F)c(OCCc3cccc(C)c3)c2)Cc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.63
▸ GPR132 Q9UNW8 1/20 0.38
▸ CXCR5 P32302 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ MRGPRX4 Q96LA9 2/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SPHK2 Q9NRA0 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL1560997 0.92 LPAR1 (0.74) LPAR1GPR132CXCR5
SCHEMBL29398945 0.88 LPAR1 (0.67) LPAR1GPR132SIRT2NPC1RAB9A
SCHEMBL1560260 0.88 LPAR1 (0.67) LPAR1GPR132CXCR5HSP90AA1HSP90AB1
SCHEMBL1561627 0.88 LPAR1 (0.67) LPAR1GPR132SIRT2NPC1RAB9A
SCHEMBL1560798 0.88 LPAR1 (0.67) LPAR1GPR132CXCR5HSP90AA1HSP90AB1
SCHEMBL1561715 0.86 LPAR1 (0.65) LPAR1GPR132CXCR5SIRT2LMNA
SCHEMBL18832664 0.86 LPAR1 (0.58) LPAR1GPR132HSP90AA1HSP90AB1MRGPRX4
SCHEMBL1561438 0.85 LPAR1 (0.85) LPAR1GPR132CXCR5SIRT2MAPT
SCHEMBL1561533 0.85 LPAR1 (0.67) LPAR1GPR132SMN1; SMN2NPC1RAB9A
SCHEMBL1560887 0.85 LPAR1 (0.63) LPAR1GPR132CXCR5SIRT2ALDH1A1

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 12 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
EP-2303270-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Sanofi-aventis (FR) 2011-04-06 — — EP disclosed
WO-2009135590-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-11-12 — — WO 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 LPAR1 6/4885GPR132 539/4885CXCR5 438/4885
US-20130225605-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885GPR132 539/4885CXCR5 438/4885
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885GPR132 539/4885CXCR5 438/4885
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885GPR132 539/4885CXCR5 438/4885
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885GPR132 539/4885CXCR5 438/4885

“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