SCHEMBL2162763

SCHEMBL2162763

O=S(=O)(Nc1csc(-c2ccccc2)c1)c1cc(Cl)sc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.54
▸ CCNB1 P14635 1/20 0.54
▸ CCNA2 P20248 1/20 0.54
▸ CCND1 P24385 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CDK7 P50613 1/20 0.54
▸ CCNH P51946 1/20 0.54
▸ CCNA1 P78396 1/20 0.54
▸ CDK6 Q00534 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ ACLY P53396 1/20 0.53
▸ PFKFB3 Q16875 1/20 0.50
▸ TYMS P04818 1/20 0.48
▸ APP P05067 1/20 0.47
▸ CNR1 P21554 1/20 0.45
▸ SGK1 O00141 5/20 0.44
▸ S100A9 P06702 4/20 0.43
▸ PGR P06401 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL7579927 0.82 CDK1 (0.72) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL2157782 0.81 PTPN2 (0.53) TDP1CNR1MEN1KMT2A
SCHEMBL2157528 0.81 PFKFB3 (0.52) ACLYPFKFB3CNR1PGRMEN1
SCHEMBL2158700 0.80 ITGA1 (0.56) ACLYCNR1PGRMEN1POLB
SCHEMBL2158501 0.79 CNR1 (0.49) CNR1PGRMEN1POLBKMT2A
SCHEMBL2157624 0.78 CNR1 (0.49) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL2158687 0.77 CNR1 (0.42) ACLYCNR1PGRMEN1POLB
SCHEMBL2158458 0.75 PGR (0.55) ACLYCNR1PGRMEN1KMT2A
SCHEMBL2158054 0.74 ALDH1A1 (0.52) TDP1MEN1KMT2A
SCHEMBL2158492 0.74 USP2 (0.49) POLB

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 CDK1 3925/4885CCNB1 4249/4885CCNA2 4778/4885

“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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