SCHEMBL1109099

SCHEMBL1109099

NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
MRGPRX4 Q96LA9 2/20 0.47
KMO O15229 2/20 0.46
GRIN2B Q13224 1/20 0.45
ALPL P05186 1/20 0.44
SLC6A3 Q01959 1/20 0.43
SCN9A Q15858 1/20 0.43
HSD11B1 P28845 1/20 0.42
MAP2 P11137 1/20 0.41
ROCK2 O75116 1/20 0.41
PARP1 P09874 1/20 0.41
S100A9 P06702 1/20 0.40
CSF1R P07333 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL14949401 0.87 EPHX1 (0.45) SLC6A2SLC6A4MRGPRX4GRIN2BALPL
SCHEMBL24959789 0.85 KMO (0.47) MRGPRX4KMOGRIN2BSCN9AROCK2
SCHEMBL9526138 0.85 KMO (0.47) MRGPRX4KMOGRIN2BSCN9AROCK2
SCHEMBL403102 0.85 KMO (0.53) MRGPRX4KMOALPL
SCHEMBL9526240 0.83 ESRRA (0.50) MRGPRX4KMOSCN9AROCK2S100A9
SCHEMBL12293457 0.83 GRIN2B (0.42) SLC6A2SLC6A4MRGPRX4KMOGRIN2B
SCHEMBL2690674 0.81 EPHX2 (0.55) SLC6A2SLC6A4ALPLPARP1KMT2A
SCHEMBL6112777 0.81 SLC6A2 (0.49) SLC6A2SLC6A4ALPLKMT2AL3MBTL1
SCHEMBL2327740 0.81 GRIN2B (0.52) KMOGRIN2BSCN9AROCK2
SCHEMBL17738071 0.81 GRIN2B (0.52) KMOGRIN2BSCN9AROCK2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
US-3935258-A FROM A BENZAMIDE, HYPOHALITE, AMINE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US claimed
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2020-03-10 US disclosed
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2018-07-26 US disclosed
US-9878991-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-30 US disclosed
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2016-12-08 US disclosed
US-9365563-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2016-06-14 US disclosed
EP-2604598-B1 TRPV1 antagonists and uses thereof PURDUE PHARMA LP (US) 2016-04-06 EP disclosed
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8889690-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2014-11-18 US disclosed
EP-2142529-B1 TRPV1 ANTAGONISTS AND USES THEREOF PURDUE PHARMA LP (US) 2013-12-25 EP disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
EP-0365913-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1993-11-18 EP disclosed
US-5142092-A Chemical intermediate for making fungicides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
EP-0365914-B1 FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES BAYER AG (DE) 1992-07-22 EP disclosed
US-5104879-A ANTIMYCOTICALLY ACTIVE SUBSTITUTED 2-AMINOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0365914-A2 Fluorine-containing acetophenones optionally halogenated in the CH3-group, and their preparation from fluorinated benzonitriles BAYER AG (DE) 1990-05-02 EP disclosed
EP-0365913-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP disclosed
US-3935258-A FROM A BENZAMIDE, HYPOHALITE, AMINE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 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 (4 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS SLC6A2 2734/4885SLC6A4 3656/4885MRGPRX4 2170/4885
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 SLC6A2 609/4885SLC6A4 361/4885MRGPRX4 67/4885
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 SLC6A2 609/4885SLC6A4 361/4885MRGPRX4 67/4885
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof TRPV1, TRPA1, TRPV5 SLC6A2 609/4885SLC6A4 361/4885MRGPRX4 67/4885

“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.