SCHEMBL558983

SCHEMBL558983

Cc1cc(C(=O)O)cc2cc(NC3CCC4(CC3)OCCO4)ncc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.43
CCNE1 P24864 5/20 0.36
CDK2 P24941 5/20 0.36
CSNK2A1 P68400 4/20 0.36
AOC3 Q16853 1/20 0.35
MAPK1 P28482 2/20 0.35
RPS6KA1 Q15418 2/20 0.35
PARP14 Q460N5 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCNT1 O60563 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL559504 0.90 MAPK1 (0.39) HCAR3CCNE1CDK2MAPK1RPS6KA1
SCHEMBL559821 0.84 MAPK1 (0.45) MAPK1RPS6KA1GAAALDH1A1
SCHEMBL558698 0.82 AOC3 (0.35) CCNE1CDK2AOC3MAPK1PARP14
SCHEMBL559742 0.76 GSK3B (0.35) AOC3MAPK1PARP14ALDH1A1
SCHEMBL559788 0.73 BRD4 (0.41) HCAR3MAPK1CCNT1
SCHEMBL559789 0.73 BRD4 (0.41) HCAR3MAPK1CCNT1
SCHEMBL559257 0.72 BRD4 (0.36) AOC3MAPK1RPS6KA1HSD17B10CCNT1
SCHEMBL559117 0.70 CDK2 (0.39) CCNE1CDK2AOC3MAPK1CCNT1
SCHEMBL15511646 0.69 MAPK1 (0.55) HCAR3CCNE1CDK2MAPK1RPS6KA1
SCHEMBL10206025 0.68 MAPK8 (0.48) CDK2CCNT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017506-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-07-10 US claimed
US-20170158687-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-06-08 US claimed
US-20150210647-A1 ATX MODULATING AGENTS BIOGEN MA, INC. 2015-07-30 US claimed
EP-2877166-A1 ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-03 EP claimed
WO-2014018881-A1 ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-01-30 WO claimed
US-10017506-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-07-10 US disclosed
EP-2877166-B1 1-[7-(cis-4-methyl-cyclohexyloxy)-8-trifluoromethyl-naphthalen-2-ylmethyl]-piperidine-4-carboxylic acid derivatives as autotaxin (ATX) modulators for treating inflammations and autoimmune disorders BIOGEN MA INC (US) 2018-02-28 EP disclosed
US-20170158687-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-06-08 US disclosed
US-9522889-B2 ATX modulating agents BIOGEN MA INC. (US) 2016-12-20 US disclosed
US-20150210647-A1 ATX MODULATING AGENTS BIOGEN MA, INC. 2015-07-30 US disclosed
EP-2877166-A1 ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-03 EP disclosed
WO-2014018881-A1 ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-01-30 WO disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 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 (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-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 HCAR3 757/4885CCNE1 523/4885CDK2 125/4885
US-20150210647-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 HCAR3 4391/4885CCNE1 2434/4885CDK2 1018/4885
US-20170158687-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 HCAR3 4391/4885CCNE1 2434/4885CDK2 1018/4885
US-10017506-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 HCAR3 4391/4885CCNE1 2434/4885CDK2 1018/4885

“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.