SCHEMBL16409131

SCHEMBL16409131

CCC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.39
ATM Q13315 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KLK7 P49862 1/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 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
SCHEMBL25853657 0.86 SMN1; SMN2 (0.44) SMN1; SMN2USP2RECQLHSD17B10ATM
SCHEMBL17293151 0.86 SMN1; SMN2 (0.44) SMN1; SMN2USP2RECQLHSD17B10ATM
SCHEMBL17292975 0.86 SMN1; SMN2 (0.44) SMN1; SMN2USP2RECQLHSD17B10ATM
SCHEMBL31379382 0.84 SMN1; SMN2 (0.40) SMN1; SMN2USP2RECQLHSD17B10ATM
SCHEMBL31379341 0.84 SMN1; SMN2 (0.40) SMN1; SMN2USP2RECQLHSD17B10ATM
SCHEMBL2737896 0.84 MEN1 (0.48) SMN1; SMN2USP2RECQLHSD17B10ATM
SCHEMBL154453 0.84 SMN1; SMN2 (0.50) SMN1; SMN2USP2RECQLHSD17B10ATM
SCHEMBL186174 0.84 SMN1; SMN2 (0.50) SMN1; SMN2USP2RECQLHSD17B10ATM
SCHEMBL15116754 0.84 SMN1; SMN2 (0.50) SMN1; SMN2USP2RECQLHSD17B10ATM
SCHEMBL185522 0.84 SMN1; SMN2 (0.50) SMN1; SMN2USP2RECQLHSD17B10ATM

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-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 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 (3 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4705/4885USP2 736/4885RECQL 1466/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4705/4885USP2 736/4885RECQL 1466/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4657/4885USP2 861/4885RECQL 1323/4885

“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.