SCHEMBL1889392

SCHEMBL1889392

CC(C#N)c1ccccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
HMGB1 P09429 2/20 0.41
NAPRT Q6XQN6 2/20 0.41
CA6 P23280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10940016 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15TDP1GAAKMT2A
SCHEMBL7030601 0.84 AKR1C3 (0.47) ALDH1A1TDP1GAAKMT2AMAPT
SCHEMBL1882897 0.84 ALDH1A1 (0.41) ALDH1A1ALOX15KMT2AMAPTCYP2C19
SCHEMBL5800786 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15TDP1GAAKMT2A
SCHEMBL28456033 0.80 LMNA (0.46) ALDH1A1KMT2AMAPTCYP2C19KDM4E
Water SCHEMBL27489910 0.80 ALDH1A1 (0.54) ALDH1A1ALOX15TDP1GAAKMT2A
SCHEMBL254364 0.80 ALDH1A1 (0.59) ALDH1A1ALOX15TDP1GAAKMT2A
SCHEMBL134091 0.80 ALDH1A1 (0.59) ALDH1A1ALOX15TDP1GAAKMT2A
Hydrogen Peroxide SCHEMBL9514730 0.80 ALDH1A1 (0.59) ALDH1A1ALOX15TDP1GAAKMT2A
SCHEMBL29657201 0.80 ALDH1A1 (0.59) ALDH1A1ALOX15TDP1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111675631-A Synthesis process of cyano ketoprofen 湖北仙盛科技股份有限公司 2020-09-18 CN claimed
CN-117659022-A Ureido substituted pyridine compound, pharmaceutical composition containing ureido substituted pyridine compound and medical application of ureido substituted pyridine compound 苏州阿尔脉生物科技有限公司 2024-03-08 CN disclosed
CN-111675631-A Synthesis process of cyano ketoprofen 湖北仙盛科技股份有限公司 2020-09-18 CN disclosed
US-7939521-B2 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DompePHA.R.MA S.p.A. (IT) 2011-05-10 US disclosed
EP-1856031-B1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-02-25 EP disclosed
US-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them DOMPE' PHA.R.MA.S.P.A. (IT) 2008-12-18 US disclosed
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP disclosed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 WO disclosed
EP-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 EP disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 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 (1 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-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them C3AR1, C5AR2, C5AR1 ALDH1A1 1262/4885ALOX15 804/4885TDP1 4826/4885

“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.