SCHEMBL143257

SCHEMBL143257

CC(C)(C)NC(=O)OC1(C(=O)Nc2cnccc2O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.32
BRS3 P32247 5/20 0.32
MAPT P10636 1/20 0.32
GSK3B P49841 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
KDM4C Q9H3R0 2/20 0.31
RAB9A P51151 1/20 0.31
HIF1A Q16665 1/20 0.30
LATS1 O95835 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL142826 0.74 GHSR (0.39) NAMPTBRS3MAPTGSK3BRAB9A
SCHEMBL27143602 0.69 KDM4C (0.41) KDM4CHIF1AKDM4E
SCHEMBL5833311 0.69 TSHR (0.49) MAPTGSK3BKDM4CRAB9ASMN1; SMN2
SCHEMBL28293245 0.68 ALDH1A1 (0.31) SMN1; SMN2
SCHEMBL3194739 0.67 MAPT (0.47) MAPTKDM4CRAB9APOLBHPGD
SCHEMBL28034764 0.65 ACHE (0.32)
SCHEMBL146430 0.64 GHSR (0.41) NAMPTBRS3RAB9A
SCHEMBL30759275 0.64 NAMPT (0.43) NAMPTBRS3RAB9ALATS1
SCHEMBL28046351 0.64 ALDH1A1 (0.30)
SCHEMBL22075773 0.64 LATS1 (0.44) NAMPTBRS3RAB9ALATS1POLB

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
EP-2545051-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-04-19 EP disclosed
US-8354410-B2 Compounds for the treatment of hepatitis C BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20120059019-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120059019-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NAMPT 1820/4885BRS3 3567/4885MAPT 4242/4885

“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.