SCHEMBL2247145

SCHEMBL2247145

O=C(CNc1cc(-c2ccccc2)sc1C(=O)O)c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.49
▸ PTPRA P18433 1/20 0.49
▸ PTPRF P10586 1/20 0.49
▸ ACLY P53396 1/20 0.47
▸ IKBKB O14920 2/20 0.47
▸ ERCC5 P28715 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL2250633 0.90 PTPN1 (0.52) PTPN1PTPRAPTPRFACLYIKBKB
SCHEMBL2251240 0.89 PTPN1 (0.47) PTPN1PTPRAPTPRFACLYIKBKB
SCHEMBL2252377 0.85 PTPN1 (0.55) PTPN1PTPRAPTPRFACLYKDM4E
SCHEMBL2254388 0.85 PTPN1 (0.52) PTPN1PTPRAPTPRFACLYIKBKB
SCHEMBL2158011 0.82 PTPN1 (0.47) PTPN1PTPRAPTPRFACLYIKBKB
SCHEMBL2158574 0.81 PTPN1 (0.51) PTPN1PTPRAPTPRFACLYIKBKB
SCHEMBL2458770 0.81 PTPN1 (0.46) PTPN1PTPRAPTPRFACLYIKBKB
SCHEMBL2251143 0.81 PTPN1 (0.50) PTPN1PTPRAPTPRFIKBKBKDM4E
SCHEMBL3811151 0.81 PTPN1 (0.50) PTPN1PTPRAPTPRFIKBKBMAPT
SCHEMBL2158083 0.80 PTPN1 (0.58) PTPN1PTPRAPTPRFIKBKBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 — — US claimed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 — — EP claimed
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 — — US claimed
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 — — US disclosed
US-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 — — US disclosed
EP-2363396-A1 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2011-09-07 — — EP disclosed
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 — — US disclosed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 — — EP disclosed
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP 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 (2 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-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS PTPN1 1592/4885PTPRA 2547/4885PTPRF 364/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS PTPN1 1592/4885PTPRA 2547/4885PTPRF 364/4885

“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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