SCHEMBL166809

SCHEMBL166809

CCNS(=O)(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.71
MEP1B Q16820 1/20 0.65
LMNA P02545 3/20 0.60
TBXA2R P21731 1/20 0.60
TSHR P16473 1/20 0.59
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.52
CYP2C9 P11712 1/20 0.51
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL5447486 0.87 TBXA2R (0.65) ALDH1A1MEP1BLMNATBXA2RTSHR
SCHEMBL16801098 0.85 ALDH1A1 (0.72) ALDH1A1MEP1BLMNATSHRKMT2A
SCHEMBL396597 0.84 ALDH1A1 (0.60) ALDH1A1MEP1BLMNATBXA2RTSHR
SCHEMBL12440455 0.83 ALDH1A1 (0.60) ALDH1A1LMNATSHRKMT2AKDM4E
SCHEMBL163727 0.82 MEP1B (0.59) ALDH1A1MEP1BLMNATBXA2RKDM4E
SCHEMBL18151859 0.82 ALDH1A1 (0.74) ALDH1A1MEP1BLMNATBXA2RKDM4E
SCHEMBL11511836 0.81 ALDH1A1 (0.83) ALDH1A1LMNATSHRKMT2AKDM4E
SCHEMBL2766417 0.81 ALDH1A1 (0.52) ALDH1A1LMNAKMT2A
SCHEMBL28859611 0.80 ALDH1A1 (0.63) ALDH1A1LMNATSHRKMT2ACYP2C9
SCHEMBL5458079 0.80 KEAP1 (0.69) ALDH1A1MEP1BLMNATBXA2RTSHR

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
CN-105980353-B ROR gamma modulators 领先制药控股公司 2019-06-14 CN disclosed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
CN-105980353-A ROR gamma modulators 领先制药CEL模型知识产权公司 2016-09-28 CN disclosed
WO-2015083130-A1 FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-11 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A ALDH1A1 816/4885MEP1B 1965/4885LMNA 1833/4885
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 ALDH1A1 3792/4885MEP1B 124/4885LMNA 1172/4885
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB ALDH1A1 1054/4885MEP1B 871/4885LMNA 3089/4885
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 ALDH1A1 3828/4885MEP1B 132/4885LMNA 1191/4885

“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.