SCHEMBL15113236

SCHEMBL15113236

CC(C)C(=O)c1ccc(C(F)(F)F)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.61
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
HDAC4 P56524 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC3 O15379 4/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
YEATS4 O95619 1/20 0.36
LIMK1 P53667 1/20 0.33
MLYCD O95822 2/20 0.33

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
SCHEMBL27244010 0.83 DAO (0.63) DAOERCC5FEN1TSHRLMNA
SCHEMBL19059411 0.83 YEATS4 (0.51) DAOERCC5FEN1TSHRLMNA
SCHEMBL10060476 0.80 CES2 (0.41) DAOTSHRLMNAHDAC4HDAC6
SCHEMBL13295221 0.79 LMNA (0.68) DAOERCC5FEN1TSHRLMNA
SCHEMBL7008751 0.76 DAO (1.00) DAOERCC5FEN1TSHRLMNA
SCHEMBL24198720 0.76 DAO (0.63) DAOERCC5FEN1TSHRLMNA
SCHEMBL7369616 0.75 DAO (0.68) DAOERCC5FEN1TSHRLMNA
SCHEMBL19176675 0.75 DAO (0.57) DAOTSHRLMNAHDAC4HDAC6
SCHEMBL3060952 0.75 DAO (0.68) DAOERCC5FEN1TSHRLMNA
SCHEMBL24198756 0.74 DAO (0.61) DAOERCC5FEN1TSHRLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 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
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 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 (5 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-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 DAO 2359/4885ERCC5 2659/4885FEN1 3338/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 DAO 2359/4885ERCC5 2659/4885FEN1 3338/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 DAO 2359/4885ERCC5 2659/4885FEN1 3338/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 DAO 2359/4885ERCC5 2659/4885FEN1 3338/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS DAO 2552/4885ERCC5 2586/4885FEN1 2770/4885

“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.