SCHEMBL10090169

SCHEMBL10090169

COCCN(C)C(=O)COc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 1/20 0.48
PKM P14618 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PTGS2 P35354 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL16438484 0.85 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19BLMPMP22
SCHEMBL10090414 0.85 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19BLMPMP22
SCHEMBL14464154 0.84 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19BLMPMP22
SCHEMBL8955844 0.80 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19BLMPMP22
SCHEMBL16435707 0.80 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19BLMPMP22
SCHEMBL9749821 0.79 SMN1; SMN2 (0.65) CYP1A2CYP3A4CYP2C19BLMPMP22
SCHEMBL8778485 0.79 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19BLMPMP22
SCHEMBL22221532 0.79 POLB (0.57) CYP1A2CYP3A4CYP2C19BLMPMP22
SCHEMBL10874003 0.79 RAB9A (0.51) CYP1A2CYP3A4CYP2C19BLMPMP22
SCHEMBL3868528 0.78 PTGS2 (0.55) CYP1A2CYP3A4CYP2C19BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 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 (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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS CYP1A2 3761/4885CYP3A4 4362/4885CYP2C19 2856/4885

“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.