SCHEMBL1293285

SCHEMBL1293285

NCc1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
CASP1 P29466 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CSNK2A1 P68400 7/20 0.49
NR1H4 Q96RI1 1/20 0.48
ALDH1A1 P00352 3/20 0.45
MYC P01106 1/20 0.45
NR4A1 P22736 1/20 0.45
PTPRG P23470 2/20 0.43
PTPRC P08575 1/20 0.43
CDC25B P30305 1/20 0.43
CASP6 P55212 1/20 0.43
RCE1 Q9Y256 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
TP53 P04637 1/20 0.42
KLKB1 P03952 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL27499388 0.86 XDH (0.51) TSHRCASP1SMN1; SMN2
SCHEMBL27543732 0.85 TAAR1 (0.58) TSHRCASP1SMN1; SMN2NR1H4ALDH1A1
SCHEMBL1671897 0.85 ALDH1A1 (0.57) TSHRCASP1SMN1; SMN2CSNK2A1ALDH1A1
SCHEMBL27768664 0.85 ADRA1D (0.52) CSNK2A1CSNK2A2CSNK2BCSNK2A3KLKB1
SCHEMBL9558139 0.84 TSHR (0.61) TSHRCASP1SMN1; SMN2NR1H4ALDH1A1
Hydrochloric Acid SCHEMBL1671401 0.83 ALDH1A1 (0.55) TSHRCASP1SMN1; SMN2CSNK2A1ALDH1A1
SCHEMBL27618251 0.83 LOXL2 (0.43) CSNK2A1CSNK2A2CSNK2BCSNK2A3KLKB1
SCHEMBL30463143 0.82 SMN1; SMN2 (0.59) TSHRCASP1SMN1; SMN2NR1H4ALDH1A1
SCHEMBL543139 0.82 SMN1; SMN2 (0.59) TSHRCASP1SMN1; SMN2NR1H4ALDH1A1
SCHEMBL2140516 0.82 TSHR (0.59) TSHRCASP1SMN1; SMN2NR1H4ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9408848-B2 Fluorescent CDK inhibitors for treatment of cancer GEORGETOWN UNIVERSITY (US) 2016-08-09 US claimed
US-20110269178-A1 FLUORESCENT CDK INHIBITORS FOR TREATMENT OF CANCER GEORGETOWN UNIVERSITY (US) 2011-11-03 US claimed
EP-2330908-A1 FLUORESCENT CDK INHIBITORS FOR TREATMENT OF CANCER Georgetown University (US) 2011-06-15 EP claimed
WO-2010019967-A1 FLUORESCENT CDK INHIBITORS FOR TREATMENT OF CANCER GEORGETOWN UNIVERSITY (US) 2010-02-18 WO claimed
CN-111094455-B Resin composition, molded article, prepreg, fiber-reinforced molded article, and methods for producing these AGC株式会社 2022-06-17 CN disclosed
US-10982063-B2 Resin composition, molded product and method for its production, prepreg and method for its production, and fiber-reinforced molded product and method for its production AGC Inc. (JP) 2021-04-20 US disclosed
US-20200157301-A1 RESIN COMPOSITION, MOLDED PRODUCT AND METHOD FOR ITS PRODUCTION, PREPREG AND METHOD FOR ITS PRODUCTION, AND FIBER-REINFORCED MOLDED PRODUCT AND METHOD FOR ITS PRODUCTION AGC Inc. (JP) 2020-05-21 US disclosed
CN-111094455-A Resin composition, molded article and method for producing same, prepreg and method for producing same, and fiber-reinforced molded article and method for producing same AGC株式会社 2020-05-01 CN disclosed
CN-110603138-A Laser welded body and method for manufacturing same 东方化学工业株式会社 2019-12-20 CN disclosed
US-9408848-B2 Fluorescent CDK inhibitors for treatment of cancer GEORGETOWN UNIVERSITY (US) 2016-08-09 US disclosed
EP-2159265-B1 FLAME RETARDANT POLYAMIDE RESIN COMPOSITION MITSUBISHI ENG PLASTICS CORP (JP) 2015-12-02 EP disclosed
US-20110269178-A1 FLUORESCENT CDK INHIBITORS FOR TREATMENT OF CANCER GEORGETOWN UNIVERSITY (US) 2011-11-03 US disclosed
EP-2330908-A1 FLUORESCENT CDK INHIBITORS FOR TREATMENT OF CANCER Georgetown University (US) 2011-06-15 EP disclosed
US-20100160501-A1 FLAME-RETARDANT POLYAMIDE RESIN COMPOSITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2010-06-24 US disclosed
EP-2159265-A1 FLAME RETARDANT POLYAMIDE RESIN COMPOSITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2010-03-03 EP disclosed
WO-2010019967-A1 FLUORESCENT CDK INHIBITORS FOR TREATMENT OF CANCER GEORGETOWN UNIVERSITY (US) 2010-02-18 WO disclosed
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US disclosed
EP-0344922-B1 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives UNIV PRINCETON (US) 1995-10-18 EP disclosed
US-4871746-A N-[N-(tetrahydropyrido[2,3-D]pyrimidinylmethyl)-aminomethylbenzoyl]glutamic acid derivatives as neoplastic growth inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-10-03 US 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-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 TSHR 171/4885CASP1 4336/4885SMN1; SMN2 4859/4885
US-20110269178-A1 FLUORESCENT CDK INHIBITORS FOR TREATMENT OF CANCER CDK3, CDK6, CDK8 TSHR 3979/4885CASP1 2400/4885SMN1; SMN2 2925/4885

“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.