SCHEMBL4031277

SCHEMBL4031277

CCC1(C(=O)O)CC1(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 3/20 0.35
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4031275 1.00 FFAR3 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL13688280 0.82 FFAR3 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL9784921 0.81 NPSR1 (0.32) FFAR3
SCHEMBL9639839 0.81 NPSR1 (0.32) FFAR3
SCHEMBL11522215 0.79 FFAR3 (0.35) FFAR3ALDH1A1
SCHEMBL6135816 0.78 CYP2C19 (0.39) FFAR3ALDH1A1
SCHEMBL21950869 0.78 CYP2C19 (0.39) FFAR3ALDH1A1
SCHEMBL8615746 0.78
SCHEMBL8467424 0.78
SCHEMBL21950923 0.76 FFAR3 (0.31) FFAR3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056889-B2 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK, WORLDWIDE, INC. (US) 2006-06-06 US claimed
US-20040116339-A1 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK WORLDWIDE, INC. 2004-06-17 US claimed
WO-2020203610-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING RHEUMATOID ARTHRITIS 日本ケミファ株式会社 2020-10-08 WO disclosed
WO-2020203609-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS 日本ケミファ株式会社 2020-10-08 WO disclosed
EP-3292104-A1 CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL USES THEREOF Astrazeneca AB (SE) 2018-03-14 EP disclosed
US-20170216283-A1 COMPOUNDS AND USES ASTRAZENECA AB (SE) 2017-08-03 US disclosed
US-9657001-B2 Compounds and uses ASTRAZENECA AB (SE) 2017-05-23 US disclosed
WO-2016177845-A1 CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL USES THEREOF ASTRAZENECA AB (SE) 2016-11-10 WO disclosed
US-20160326143-A1 COMPOUNDS AND USES ASTRAZENECA AB (SE) 2016-11-10 US disclosed
US-20090306009-A1 Modulation of the P2Y2 Receptor Pathway P2-SCIENCE APS (DK) 2009-12-10 US disclosed
EP-1592436-A4 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS KIMBERLY CLARK CO (US) 2009-09-02 EP disclosed
US-7026333-B1 Retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20060040974-A1 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-02-23 US disclosed
EP-1592436-A2 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS Kimberly-Clark Worldwide, Inc. (US) 2005-11-09 EP disclosed
WO-2004060907-A2 COMPOUNDS THAT BIND P2Y2 OR P2Y1 RECEPTORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-07-22 WO disclosed
US-20040116339-A1 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK WORLDWIDE, INC. 2004-06-17 US disclosed
US-6538006-B1 N-heterocyclic moiety-containing hydroxyethylamine protease inhibitor compounds, methods for making the compounds, and intermediates useful in the method. Also, a method for inhibiting retroviral proteases and for treatment of PHARMACIA CORPORATION 2003-03-25 US disclosed
US-5510378-A Retroviral protease inhibitors G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
EP-0007128-B1 DERIVATIVES OF 3-AZABICYCLO(3.1.0)HEXANE AND PROCESSES FOR THEIR PREPARATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-02-16 EP disclosed
EP-0007128-A1 Derivatives of 3-azabicyclo(3.1.0)hexane and processes for their preparation SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-01-23 EP 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 (4 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-20170216283-A1 COMPOUNDS AND USES LTC4S, LTB4R2, LTA4H FFAR3 492/4885HDAC3 2409/4885HDAC1 2541/4885
US-20090306009-A1 Modulation of the P2Y2 Receptor Pathway P2RY2, P2RY1, P2RY11 FFAR3 502/4885HDAC3 4592/4885HDAC1 4808/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP FFAR3 4391/4885HDAC3 393/4885HDAC1 183/4885
US-20160326143-A1 COMPOUNDS AND USES LTC4S, LTB4R2, LTA4H FFAR3 492/4885HDAC3 2409/4885HDAC1 2541/4885

“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.