SCHEMBL2158700

SCHEMBL2158700

O=S(=O)(Nc1csc(-c2ccccc2)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGA1 P56199 4/20 0.56
▸ CNR1 P21554 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ NLRP1 Q9C000 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ SLC40A1 Q9NP59 1/20 0.47
▸ PPARG P37231 4/20 0.46
▸ PGR P06401 2/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ ACLY P53396 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42

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
SCHEMBL2157624 0.88 CNR1 (0.49) ITGA1CNR1MEN1KMT2APOLB
SCHEMBL2157528 0.86 PFKFB3 (0.52) ITGA1CNR1MEN1KMT2AMAPT
SCHEMBL2158501 0.81 CNR1 (0.49) CNR1MEN1KMT2ALMNAMAPT
SCHEMBL7577795 0.80 ITGA1 (0.74) ITGA1MEN1KMT2ALMNAMAPT
SCHEMBL2158080 0.80 CNR1 (0.42) CNR1MEN1KMT2AACLY
SCHEMBL2162763 0.80 CDK1 (0.54) CNR1MEN1KMT2APOLBPGR
SCHEMBL2157826 0.79 KDM1A (0.48) CNR1MEN1KMT2AMAPTPGR
SCHEMBL2157979 0.79 KDM1A (0.59) CNR1KDM1AMAOA
SCHEMBL2158458 0.78 PGR (0.55) CNR1MEN1KMT2ALMNAMAPT
SCHEMBL2158492 0.77 USP2 (0.49) LMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 — — US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 — — 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS ITGA1 3767/4885CNR1 3333/4885MEN1 3052/4885

“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.

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