SCHEMBL2622480

SCHEMBL2622480

CC(C)C(=O)c1cccc(F)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.42
CTSA P10619 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR2 O15552 1/20 0.38
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
F10 P00742 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DBH P09172 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
CYP1A2 P05177 1/20 0.35
SCN9A Q15858 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
SCHEMBL13197239 0.86 KDM4E (0.52) TRPM8KDM4EALOX15TSHRACMSD
SCHEMBL23356639 0.85 GRM4 (0.40) GRM4CTSAKDM4EALOX15TSHR
SCHEMBL30693362 0.85 GRM4 (0.40) GRM4CTSAKDM4EALOX15TSHR
SCHEMBL8022716 0.78 KDM4E (0.41) TRPM8KDM4EALOX15TSHRACMSD
SCHEMBL2605492 0.78 P2RX7 (0.55) CTSAKDM4EALOX15TSHRACMSD
SCHEMBL9927086 0.78 PGK1 (0.38) TRPM8KDM4EALOX15TSHRACMSD
SCHEMBL3959719 0.78 GRM4 (0.43) GRM4CTSAKDM4EALOX15TSHR
SCHEMBL2632248 0.78 ALDH1A1 (0.47) GRM4CTSAKDM4EALOX15TSHR
SCHEMBL3552924 0.77 KDM4E (0.46) GRM4CTSAKDM4EALOX15TSHR
SCHEMBL12553244 0.77 KDM4E (0.39) TRPM8KDM4EALOX15TSHRACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 GRM4 4759/4885CTSA 268/4885TRPM8 4303/4885
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 GRM4 1984/4885CTSA 354/4885TRPM8 4447/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 GRM4 4759/4885CTSA 268/4885TRPM8 4303/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 GRM4 1984/4885CTSA 354/4885TRPM8 4447/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 GRM4 1984/4885CTSA 354/4885TRPM8 4447/4885

“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.