SCHEMBL2158059

SCHEMBL2158059

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.38
NOS1 P29475 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOS2 P35228 1/20 0.38
LTB4R2 Q9NPC1 2/20 0.37
NR1H4 Q96RI1 4/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
PTGER1 P34995 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2158006 0.89 RIPK1 (0.41) RIPK1LTB4R2PTGER1TP53MEN1
SCHEMBL12464658 0.89 LTB4R2 (0.39) RIPK1CYP2C19LTB4R2SLC6A2SLC6A4
SCHEMBL6629369 0.85 ALDH1A1 (0.39) RIPK1KDM4EALDH1A1HPGDTSHR
SCHEMBL2157748 0.85 LTB4R2 (0.48) RIPK1LTB4R2TP53MEN1KMT2A
SCHEMBL2158539 0.81 ALDH1A1 (0.41) KDM4EALDH1A1HPGDTSHRNPSR1
SCHEMBL12464439 0.81 NOS1 (0.41) NOS1NOS2NR1H4PTGER1TP53
SCHEMBL2158638 0.79 MEN1 (0.40) KDM4EPTGER1TP53MEN1KMT2A
SCHEMBL12464650 0.79 NR1H4 (0.50) ALDH1A1LTB4R2NR1H4MEN1KMT2A
SCHEMBL2157845 0.78 LTB4R2 (0.48) LTB4R2NR1H4KMT2A
SCHEMBL2157679 0.78 NR1H4 (0.47) ALDH1A1HPGDLTB4R2NR1H4MEN1

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 RIPK1 3230/4885KDM4E 3220/4885ALDH1A1 684/4885

“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.