SCHEMBL3458611

SCHEMBL3458611

NC(=O)C(OC(F)(F)F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSD P07339 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
SRC P12931 1/20 0.38
GAA P10253 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL2529459 0.85 CYP2D6 (0.45) CYP2D6ALDH1A1CYP3A4SRC
SCHEMBL17724521 0.85 CYP2D6 (0.45) CYP2D6ALDH1A1CYP3A4SRC
SCHEMBL3154545 0.84 EPHX1 (0.38) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM
Hydrochloric Acid SCHEMBL2530813 0.83 CYP2D6 (0.43) CYP2D6ALDH1A1CYP3A4SRC
SCHEMBL6963705 0.83 ALDH1A1 (0.40) CYP2D6CTSDKMT2AALDH1A1CYP3A4
SCHEMBL22758109 0.81 ALDH1A1 (0.42) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM
SCHEMBL27715833 0.81 PPARG (0.39) CYP2D6CTSDKMT2AALDH1A1CYP3A4
SCHEMBL5892872 0.79 ALDH1A1 (0.40) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM
SCHEMBL3154551 0.77 EPHX1 (0.38) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM
SCHEMBL11825339 0.77 EPHX1 (0.41) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988124-B Inhibitor of renal glutaminase allosteric site containing oxygen group element diazole or tetrazole structure 杭州健昵福生物科技有限公司 2024-01-09 CN disclosed
WO-2023081775-A1 COMBINATION INHIBITORS FOR TREATING FIBROSIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2023-05-11 WO disclosed
EP-2694509-A1 PYRROLO [2, 3 -D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES Pfizer Limited (GB) 2014-02-12 EP disclosed
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 WO disclosed
US-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
EP-1896417-A1 LINEAR UREA MIMICS ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Brystol-Myers Squibb Company (US) 2008-03-12 EP disclosed
WO-2007002584-A1 LINEAR UREA MIMICS ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
EP-0374041-A1 Medicaments containing 2-benzothiazolamine derivatives, compounds and their preparation RHONE-POULENC SANTE (FR) 1990-06-20 EP disclosed
EP-0066482-B1 METHOD FOR THE PREPARATION OF ALIPHATIC OR AROMATIC NITRILES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-11-28 EP disclosed
EP-0066483-B1 METHOD FOR THE PREPARATION OF ALIPHATIC OR AROMATIC NITRILES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-11-21 EP disclosed
EP-0065447-B1 FLUOR-CONTAINING SILICA CATALYSTS; THEIR PREPARATION, AND THEIR USE IN THE PREPARATION OF NITRILES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-05 EP disclosed
EP-0066482-A1 Method for the preparation of aliphatic or aromatic nitriles RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-12-08 EP disclosed
EP-0066483-A1 Method for the preparation of aliphatic or aromatic nitriles RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-12-08 EP disclosed
EP-0065447-A1 Fluor-containing silica catalysts; their preparation, and their use in the preparation of nitriles RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-11-24 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 (1 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-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R EPHX1 1561/4885SMN1; SMN2 3394/4885CYP2D6 1651/4885

“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.