SCHEMBL2157913

SCHEMBL2157913

O=C(O)c1sc(-c2ccccc2)cc1NCc1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ SIGMAR1 Q99720 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ PTPRF P10586 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ CACNA1G O43497 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ SLC9A1 P19634 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
SCHEMBL12357238 0.90 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2CACNA1GCACNA1B
SCHEMBL14947250 0.77 POLB (0.58) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL12357351 0.73 PTPN1 (0.61) PTPRFPTPN1KMT2AMEN1POLB
SCHEMBL27610463 0.72 PTPN1 (0.59) PTPRFPTPN1KMT2AMEN1POLB
SCHEMBL2250413 0.72 PTPN1 (0.46) ALDH1A1KDM4ESMN1; SMN2PTPRFPTPN1
SCHEMBL3637614 0.71 FRK (0.48) ALDH1A1KDM4ESIGMAR1SMN1; SMN2CACNA1G
SCHEMBL2248145 0.71 ACLY (0.64) KDM4EKMT2AMEN1
SCHEMBL13270878 0.70 PTPN1 (0.46) ALDH1A1KDM4ESMN1; SMN2PTPRFPTPN1
SCHEMBL1222870 0.70 SLC9A1 (0.67) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C19
SCHEMBL1198267 0.69 KDM4E (0.59) ALDH1A1KDM4ESIGMAR1SMN1; SMN2CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — 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
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
US-20040116509-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2004-06-17 — — US disclosed
EP-1401825-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION Shire Biochem Inc. (CA) 2004-03-31 — — EP disclosed
WO-2002100851-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION SHIRE BIOCHEM INC. (CA) 2002-12-19 — — 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 (3 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 ALDH1A1 684/4885KDM4E 3220/4885SIGMAR1 3539/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS ALDH1A1 684/4885KDM4E 3220/4885SIGMAR1 3539/4885
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS ALDH1A1 684/4885KDM4E 3220/4885SIGMAR1 3539/4885

“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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