Sugi Predict

Sugi Predict / Compounds / SCHEMBL15036779

SCHEMBL15036779

SCHEMBL15036779

NC(=O)c1cccc(OCC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.56
▸ TNKS O95271 1/20 0.53
▸ PARP15 Q460N3 1/20 0.53
▸ PARP14 Q460N5 1/20 0.53
▸ PARP10 Q53GL7 1/20 0.53
▸ TNKS2 Q9H2K2 1/20 0.53
▸ PARP2 Q9UGN5 1/20 0.53
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ MAOB P27338 3/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ MRGPRX4 Q96LA9 2/20 0.46
▸ PRSS1 P07477 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL2946154 0.85 NR4A2 (0.63) NR4A2MRGPRX4KMT2A
SCHEMBL30281213 0.85 NR4A2 (0.63) NR4A2MRGPRX4KMT2A
SCHEMBL25976953 0.84 PARP1 (0.60) PARP1TNKSPARP15PARP14PARP10
SCHEMBL2714234 0.84 MAOB (0.66) MAOBNR4A2MAPTHTTMEN1
SCHEMBL3720366 0.84 DHODH (0.50) MAOBMAPTKDM4E
SCHEMBL13229600 0.83 PARP1 (0.58) PARP1TNKSPARP15PARP14PARP10
SCHEMBL15987223 0.81 PARP1 (0.61) PARP1TNKSPARP15PARP14PARP10
SCHEMBL27931854 0.81 MAOB (0.49) MAOBNR4A2MAPTHTTMRGPRX4
SCHEMBL28069946 0.81 MRGPRX4 (0.56) MAOBMAPTHTTMRGPRX4CYP1A2
SCHEMBL16088887 0.81 PRSS1 (0.43) MAOBNR4A2MAPTHTTPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386951-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS H. Hoffnabb-La Roche Ag (CH) 2018-10-17 — — EP claimed
WO-2017097732-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 — — WO claimed
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 — — US disclosed
CN-116102449-A Phenyl derivatives as cannabinoid receptor 2 agonists 豪夫迈·罗氏有限公司 2023-05-12 — — CN disclosed
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 — — EP disclosed
CN-108349901-B Phenyl derivatives as cannabinoid receptor 2 agonists 豪夫迈·罗氏有限公司 2022-08-16 — — CN disclosed
US-11236097-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2022-02-01 — — US disclosed
EP-3356370-B1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS INC (US) 2021-08-18 — — EP disclosed
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-04-02 — — US disclosed
CN-108349901-A PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS 豪夫迈·罗氏有限公司 2018-07-31 — — CN disclosed
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 — — US disclosed
US-9388177-B2 Method for preparing substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-12 — — US disclosed
US-20160120854-A1 PHARMACEUTICAL COMPOSITIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 — — US disclosed
US-20150210683-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-30 — — US disclosed
EP-2791136-B1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER IP GMBH (DE) 2015-07-29 — — EP disclosed
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 — — US disclosed
WO-2014009219-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-16 — — WO disclosed
WO-2013087579-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 — — WO 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 (6 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-11236097-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A PARP1 4824/4885TNKS 3584/4885PARP15 4446/4885
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A PARP1 4824/4885TNKS 3584/4885PARP15 4446/4885
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, CACNA1A PARP1 4824/4885TNKS 3584/4885PARP15 4446/4885
US-20150210683-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS TTK, TXK, ITK PARP1 1034/4885TNKS 14/4885PARP15 718/4885
US-20160120854-A1 PHARMACEUTICAL COMPOSITIONS CYP3A5, CYP2C19, CYP3A7 PARP1 1995/4885TNKS 913/4885PARP15 1089/4885
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES QDPR, CYP3A5, CYP3A7 PARP1 1226/4885TNKS 530/4885PARP15 464/4885

“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.