SCHEMBL7715366

SCHEMBL7715366

COC(c1ccccc1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
EPHX1 P07099 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 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
SCHEMBL12199974 1.00 NPSR1 (0.43) NPSR1L3MBTL1GAAMAPK1KMT2A
SCHEMBL12199965 1.00 NPSR1 (0.43) NPSR1L3MBTL1GAAMAPK1KMT2A
SCHEMBL28985000 0.88 KIF11 (0.42) NPSR1L3MBTL1GAAMAPK1EPHX1
SCHEMBL30296865 0.83 KMT2A (0.35) NPSR1L3MBTL1GAAMAPK1KMT2A
SCHEMBL11568803 0.81 NPSR1 (0.41) NPSR1L3MBTL1GAAMAPK1POLB
SCHEMBL12282257 0.80 AOC3 (0.42) ALDH1A1IDO1TDO2
SCHEMBL12282035 0.80 CHRNA7 (0.37) NPSR1L3MBTL1GAAMAPK1
SCHEMBL14663964 0.79 ATM (0.40) L3MBTL1MAPK1KMT2AEPHX1THRB
SCHEMBL11911981 0.79 ATM (0.40) L3MBTL1MAPK1KMT2AEPHX1THRB
SCHEMBL12344306 0.79 ATM (0.40) L3MBTL1MAPK1KMT2AEPHX1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
US-4334077-A Stereospecific sulfoxidation of dibenzo thiepins MERCK & CO., INC. (US) 1982-06-08 US claimed
EP-2589600-B1 4-phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-based compounds and methods of their use LEXICON PHARMACEUTICALS INC (US) 2017-02-15 EP disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
WO-2014018671-A1 THERAPEUTIC COMPOUNDS FOR THE TREATMENT OF CANCER REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-01-30 WO disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
US-7902235-B2 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS, INC. (US) 2011-03-08 US disclosed
WO-2010053182-A1 KYNURENINE PRODUCTION INHIBITOR 協和発酵キリン株式会社 (JP) 2010-05-14 WO disclosed
US-20090203752-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2009-08-13 US disclosed
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS BATTISTA KATHLEEN 2009-05-14 US disclosed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
US-4792635-A Symmetric benzophenones substituted by groups containing fluorine BAYER AKTIENGESELLSCHAFT (DE) 1988-12-20 US disclosed
EP-0156278-B1 PROCESS FOR THE PREPARATION OF SYMMETRICAL BENZOPHENONES SUBSTITUTED BY FLUOR-CONTAINING GROUPS, THEIR USE AND SYMMETRICAL BENZOPHENONES SUBSTITUTED BY FLUOR-CONTAINING GROUPS BAYER AG (DE) 1988-03-02 EP disclosed
EP-0156278-A2 Process for the preparation of symmetrical benzophenones substituted by fluor-containing groups, their use and symmetrical benzophenones substituted by fluor-containing groups BAYER AG (DE) 1985-10-02 EP 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-20090203752-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 NPSR1 2994/4885L3MBTL1 67/4885GAA 380/4885
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS OPRL1, ADRA1D, OPRD1 NPSR1 251/4885L3MBTL1 2425/4885GAA 860/4885
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 NPSR1 311/4885L3MBTL1 631/4885GAA 4031/4885

“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.