SCHEMBL2157845

SCHEMBL2157845

CC(C)C(=O)N(Cc1ccc(Cl)cc1)c1csc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.48
NR1H4 Q96RI1 14/20 0.46
CNR1 P21554 1/20 0.44
MLYCD O95822 1/20 0.43
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12464650 0.90 NR1H4 (0.50) LTB4R2NR1H4KMT2A
SCHEMBL2158067 0.87 NR1H4 (0.52) LTB4R2NR1H4MLYCDKMT2A
SCHEMBL12464657 0.87 LTB4R2 (0.50) LTB4R2CNR1MAPTKMT2A
SCHEMBL12464572 0.86 LTB4R2 (0.46) LTB4R2NR1H4MLYCD
SCHEMBL2158539 0.85 ALDH1A1 (0.41) LTB4R2NR1H4CNR1
SCHEMBL2158429 0.85 LTB4R2 (0.47) LTB4R2CNR1MAPTKMT2A
SCHEMBL2157679 0.84 NR1H4 (0.47) LTB4R2NR1H4KMT2A
SCHEMBL12464648 0.82 CPB1 (0.52) NR1H4CNR1MAPTKMT2A
SCHEMBL12464387 0.80 CNR2 (0.51) NR1H4CNR1MAPTKMT2A
SCHEMBL2252077 0.78 LTB4R2 (0.44) LTB4R2NR1H4MLYCD

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 5 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
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 3225/4885NR1H4 579/4885CNR1 3333/4885

“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.