SCHEMBL2171946

SCHEMBL2171946

COC(=O)[C@@H](C)c1ccc(NC(N)=S)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
KIF11 P52732 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 1/20 0.43
TYR P14679 1/20 0.43
TSHR P16473 1/20 0.43
TAS2R38 P59533 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
GLA P06280 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
SCHEMBL262073 1.00 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4CYP2D6CYP2C9
SCHEMBL2170844 1.00 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4CYP2D6CYP2C9
SCHEMBL2170717 0.87 KIF11 (0.60) ALDH1A1HPGDKIF11SMN1; SMN2KMT2A
SCHEMBL2172524 0.87 KIF11 (0.60) ALDH1A1HPGDKIF11SMN1; SMN2KMT2A
SCHEMBL261230 0.87 KIF11 (0.60) ALDH1A1HPGDKIF11SMN1; SMN2KMT2A
SCHEMBL2170471 0.83 NR1H4 (0.54) ALDH1A1HPGDCYP3A4CYP2D6CYP2C9
SCHEMBL2815572 0.83 NR1H4 (0.54) ALDH1A1HPGDCYP3A4CYP2D6CYP2C9
SCHEMBL1447652 0.81 SMN1; SMN2 (0.56) ALDH1A1HPGDCYP3A4CYP2C19SMN1; SMN2
SCHEMBL11272564 0.78 HPGD (0.49) ALDH1A1HPGDCYP3A4SMN1; SMN2KMT2A
SCHEMBL5523228 0.77 KIF11 (0.59) ALDH1A1HPGDCYP3A4CYP2D6CYP2C9

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
EP-2346841-B1 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ S P A (IT) 2015-01-14 EP claimed
US-8624036-B2 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2014-01-07 US claimed
US-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them DOMPE S.P.A. (IT) 2011-08-25 US claimed
EP-2346841-A2 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2011-07-27 EP claimed
WO-2010031835-A2 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2010-03-25 WO claimed
EP-2166006-A1 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them Dompe' S.P.A. (IT) 2010-03-24 EP claimed
EP-2346841-B1 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ S P A (IT) 2015-01-14 EP disclosed
US-8624036-B2 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2014-01-07 US disclosed
US-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them DOMPE S.P.A. (IT) 2011-08-25 US disclosed
EP-2166006-A1 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them Dompe' S.P.A. (IT) 2010-03-24 EP 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-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them CXCR3, F2RL1, FPR2 ALDH1A1 1221/4885HPGD 413/4885CYP3A4 3582/4885

“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.