SCHEMBL2977932

SCHEMBL2977932

COc1ccc(-c2ccc(CN(CCCNc3nsc4ccccc34)C(=O)N(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.45
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ACKR3 P25106 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
LPAR1 Q92633 1/20 0.40
MERTK Q12866 2/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
FLT3 P36888 1/20 0.38
TSPO P30536 1/20 0.38
TSHR P16473 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL2975434 0.92 EPAS1 (0.46) EPAS1POLBRAD52RXFP1ACKR3
SCHEMBL2962354 0.87 EPAS1 (0.41) EPAS1POLBRAD52RXFP1ACKR3
SCHEMBL2973398 0.87 CTSS (0.42) EPAS1POLBRAD52RXFP1ACKR3
SCHEMBL13202874 0.86 EPAS1 (0.50) EPAS1POLBRAD52RXFP1ACKR3
SCHEMBL2978235 0.86 EPAS1 (0.41) EPAS1POLBRAD52RXFP1ACKR3
SCHEMBL2966947 0.86 ALDH1A1 (0.43) EPAS1POLBRAD52RXFP1LPAR1
SCHEMBL2970120 0.84 KDM4E (0.43) EPAS1FLT3
SCHEMBL2970654 0.83 TLR7 (0.48) POLBRAD52FLT3TSPOTP53
SCHEMBL2967270 0.83 TSPO (0.41) EPAS1TSPOTSHRTP53MAPT
SCHEMBL2965339 0.81 MAPT (0.44) TSHRTP53MAPT

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
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS EPAS1 917/4885POLB 1347/4885RAD52 3216/4885

“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.