SCHEMBL347919

SCHEMBL347919

COc1ccc(CNC(=O)c2sc3ccccc3c2Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.76
HPGD P15428 4/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
CASP3 P42574 1/20 0.53
TP53 P04637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NMT1 P30419 1/20 0.51
KDM4E B2RXH2 1/20 0.51
SENP5 Q96HI0 1/20 0.51
SENP2 Q9HC62 1/20 0.51
SENP1 Q9P0U3 1/20 0.51
CLK1 P49759 1/20 0.50

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
SCHEMBL347478 0.87 PTGS2 (1.00) PTGS2HPGDALDH1A1KMT2ARAB9A
SCHEMBL346925 0.85 PTGS2 (0.80) PTGS2HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL10021087 0.82 PTGS2 (0.72) PTGS2HPGDALDH1A1RAB9ACASP3
SCHEMBL1623348 0.82 PTGS2 (0.67) PTGS2HPGDALDH1A1GAAKMT2A
SCHEMBL10052333 0.81 PTGS2 (0.74) PTGS2NMT1SENP5SENP2SENP1
SCHEMBL347428 0.76 PTGS2 (0.70) PTGS2HPGDALDH1A1KMT2ARAB9A
SCHEMBL347207 0.75 PTGS2 (1.00) PTGS2HPGDALDH1A1GAANPC1
SCHEMBL1805430 0.75 LMNA (0.69) PTGS2HPGDALDH1A1GAAKMT2A
SCHEMBL2332306 0.75 EGLN1 (0.60) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL2526264 0.74 NPC1 (0.83) HPGDALDH1A1CYP1A2GAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578579-A1 Benzothiophene carboxamide compounds, composition and applications thereof National Institute of Immunology (IN) 2013-04-10 EP claimed
US-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF INDIAN INSTITUTE OF SCIENCE (IN) 2012-01-19 US claimed
EP-2578579-A1 Benzothiophene carboxamide compounds, composition and applications thereof National Institute of Immunology (IN) 2013-04-10 EP disclosed
EP-2578579-A1 Benzothiophene carboxamide compounds, composition and applications thereof National Institute of Immunology (IN) 2013-04-10 EP disclosed
US-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF INDIAN INSTITUTE OF SCIENCE (IN) 2012-01-19 US disclosed
US-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF INDIAN INSTITUTE OF SCIENCE (IN) 2012-01-19 US disclosed
US-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF INDIAN INSTITUTE OF SCIENCE (IN) 2012-01-19 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-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF PTGER2, PTGES2, PTGIR PTGS2 4/4885HPGD 162/4885ALDH1A1 1330/4885

“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.