SCHEMBL12601914

SCHEMBL12601914

COc1ccc(C(=O)NC2(C(=O)O)Cc3ccc(CO)cc3C2)cc1OCCc1cccc(C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.69
▸ ACHE P22303 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ SMPD1 P17405 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ GPR132 Q9UNW8 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ CXCR5 P32302 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38

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
Fipaxalparant SCHEMBL29398637 0.92 LPAR1 (0.78) LPAR1ACHEHDAC1SMPD1HDAC8
Fipaxalparant SCHEMBL29382253 0.92 LPAR1 (0.78) LPAR1ACHEHDAC1SMPD1HDAC8
Fipaxalparant SCHEMBL1560214 0.92 LPAR1 (0.78) LPAR1ACHEHDAC1SMPD1HDAC8
SCHEMBL1560271 0.91 LPAR1 (0.70) LPAR1ACHEHDAC1SMPD1HDAC8
SCHEMBL1561711 0.91 LPAR1 (0.70) LPAR1ACHEHDAC1SMPD1HDAC8
SCHEMBL1560508 0.91 LPAR1 (0.74) LPAR1ACHEHDAC1SMPD1HDAC8
SCHEMBL1561397 0.90 LPAR1 (0.69) LPAR1HDAC1SMPD1HDAC8HDAC6
SCHEMBL1561390 0.90 LPAR1 (0.69) LPAR1ACHEHDAC1SMPD1HDAC8
SCHEMBL1561481 0.89 LPAR1 (0.78) LPAR1ACHEHDAC1SMPD1HDAC8
SCHEMBL1560794 0.88 LPAR1 (0.71) LPAR1ACHEHDAC1SMPD1HDAC8

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-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
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 (2 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-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885ACHE 4772/4885THRB 2350/4885
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885ACHE 4772/4885THRB 2350/4885

“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.

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