SCHEMBL2135385

SCHEMBL2135385

COC(=O)c1cc(C2C[C@H](O)CN2C(=O)OC(C)(C)C)sc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 3/20 0.38
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
EZH2 Q15910 1/20 0.37
AEBP2 Q6ZN18 1/20 0.37
RIPK1 Q13546 1/20 0.34
CNR2 P34972 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL2135382 1.00 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL2135390 1.00 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL2140302 0.88 NR1H2 (0.38) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL2139014 0.88 NR1H2 (0.38) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL2137255 0.82 NPSR1 (0.43) NR1H2NR1H3EEDRBBP4SUZ12
SCHEMBL2141159 0.77 CYP1A2 (0.34) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL5153357 0.75 PDE4B (0.44) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL31401498 0.75 CYP1A2 (0.52) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL2139057 0.70 HSD17B10 (0.44) L3MBTL1MEN1KMT2ANPSR1LMNA
SCHEMBL30037390 0.69 CYP1A2 (0.45) CYP1A2POLBCYP3A4CYP2C19RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2012-04-26 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-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF GCK, GCKR, HK2 CYP1A2 960/4885POLB 4068/4885CYP3A4 694/4885

“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.