SCHEMBL2158049

SCHEMBL2158049

Cc1ccc(C(=O)N(c2csc(-c3ccccc3)c2)C(C)C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MLYCD O95822 1/20 0.36
HDAC7 Q8WUI4 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
HTR2C P28335 1/20 0.35
CTDSP1 Q9GZU7 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
SCHEMBL21067761 0.87 MLYCD (0.46) MEN1KMT2AHSD17B1HSD17B2NPSR1
SCHEMBL2157938 0.84 HSD17B1 (0.44) MEN1KMT2ANFE2L2HSD17B1HSD17B2
SCHEMBL2157949 0.81 POLB (0.45) MEN1KMT2APOLBHTR2C
SCHEMBL2158295 0.81 CYP3A4 (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2158071 0.79 HSD17B1 (0.43) HSD17B1HSD17B2NPSR1MAPTNPC1
SCHEMBL2157924 0.79 GRM1 (0.49) MEN1KMT2AHSD17B1HSD17B2NPSR1
SCHEMBL2158332 0.79 HTR2C (0.49) MEN1KMT2AHSD17B1HSD17B2NPSR1
SCHEMBL2158446 0.77 KDM4E (0.42) NPSR1POLBMAPTKDM4ENPC1
SCHEMBL2157677 0.76 ACLY (0.41) KMT2AHSD17B1HSD17B2POLBMAPT
SCHEMBL3811068 0.76 KDM4E (0.39) HSD11B1MEN1KMT2AHSD17B1HSD17B2

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 HSD11B1 642/4885MEN1 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.