SCHEMBL2158540

SCHEMBL2158540

COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(F)cc2Cl)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.67
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPK14 Q16539 3/20 0.43
PLA2G2A P14555 1/20 0.42
EP300 Q09472 1/20 0.41
PRKAB2 O43741 2/20 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
SCHEMBL1848218 0.92 OPRD1 (0.55) OPRD1PTGS1PTGS2KDM4EGLA
SCHEMBL2158887 0.90 PTGS1 (0.55) OPRD1PTGS1PTGS2KDM4EMAPT
SCHEMBL2159420 0.88 OPRD1 (0.70) OPRD1PTGS1PTGS2KDM4EMAPT
SCHEMBL2158607 0.87 OPRD1 (0.51) OPRD1PTGS1PTGS2KDM4EMAPT
SCHEMBL2158934 0.85 OPRD1 (0.72) OPRD1PTGS1PTGS2KDM4EMAPT
SCHEMBL2159734 0.84 OPRD1 (0.47) OPRD1PTGS1PTGS2KDM4EMAPT
SCHEMBL2158949 0.83 PTGS1 (0.48) OPRD1PTGS1PTGS2KDM4EMAPT
SCHEMBL2841088 0.81 OPRD1 (0.58) OPRD1PTGS1PTGS2KDM4EMAPT
SCHEMBL1851230 0.80 OPRD1 (0.57) OPRD1KDM4EMAPTGLARAB9A
SCHEMBL1851501 0.77 MAPK14 (0.54) PTGS1PTGS2KDM4EALDH1A1MAPK14

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-8410137-B2 Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 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-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NR3C2, NR1H3, NR1H2 OPRD1 45/4885PTGS1 1510/4885PTGS2 1277/4885

“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.