SCHEMBL1882897

SCHEMBL1882897

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C19 P33261 1/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLRA1 P23415 1/20 0.31

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
SCHEMBL28233736 0.85 TAS1R3 (0.35) ALDH1A1ALOX15TSHRLMNA
SCHEMBL1889392 0.84 ALDH1A1 (0.46) ALDH1A1ALOX15TSHRCYP2C19MAPT
SCHEMBL2153533 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRLMNACYP2C19
SCHEMBL7030601 0.79 AKR1C3 (0.47) ALDH1A1LMNAGABRA1MAPTKMT2A
SCHEMBL6905434 0.77 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRCES2CES1
SCHEMBL3670795 0.77 LMNA (0.36) ALDH1A1TSHRLMNA
SCHEMBL8087127 0.76 TSHR (0.55) ALDH1A1ALOX15TSHRGABRA1GABRB2
SCHEMBL8763608 0.76 TSHR (0.42) ALDH1A1L3MBTL1TSHRLMNAGABRA1
SCHEMBL28456033 0.76 LMNA (0.46) ALDH1A1TSHRLMNACYP2C19CES2
SCHEMBL8095510 0.76 ALDH1A1 (0.45) ALDH1A1ALOX15TSHRCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 804/4885L3MBTL1 3446/4885

“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.