SCHEMBL2157748

SCHEMBL2157748

CCCC(=O)N(Cc1ccc(F)cc1F)c1csc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 11/20 0.48
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RIPK1 Q13546 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
TP53 P04637 1/20 0.40
HCRTR1 O43613 1/20 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
SCHEMBL6629369 0.88 ALDH1A1 (0.39) LTB4R2MEN1KMT2ARIPK1PTGDR2
SCHEMBL2158006 0.87 RIPK1 (0.41) LTB4R2MEN1KMT2ARIPK1TP53
SCHEMBL12464658 0.87 LTB4R2 (0.39) LTB4R2RIPK1PTGDR2TP53HCRTR1
SCHEMBL2158059 0.85 RIPK1 (0.40) LTB4R2MEN1KMT2ARIPK1TP53
SCHEMBL2157862 0.84 MEN1 (0.45) LTB4R2MEN1KMT2ATP53HCRTR1
SCHEMBL2157764 0.83 MEN1 (0.44) LTB4R2MEN1KMT2ATP53
SCHEMBL2158523 0.80 LTB4R2 (0.44) LTB4R2MEN1KMT2ARIPK1
SCHEMBL12464439 0.79 NOS1 (0.41) TP53
SCHEMBL3809097 0.78 LTB4R2 (0.41) LTB4R2MEN1KMT2ARIPK1PTGDR2
SCHEMBL2157848 0.78 RAB9A (0.48) LTB4R2MEN1KMT2APTGDR2TP53

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 6 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-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
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 (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 LTB4R2 3225/4885MEN1 3052/4885KMT2A 3270/4885

“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.