SCHEMBL968517

SCHEMBL968517

COC(=O)Cc1ccc(C(=O)Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
HSP90AB1 P08238 1/20 0.48
KDM4E B2RXH2 2/20 0.48
TP53 P04637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 1/20 0.44
KMT2A Q03164 2/20 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
SCHEMBL4113212 0.85 CYP4F2 (0.76) CYP4F2CYP4A11SMN1; SMN2MAPTLMNA
SCHEMBL9650739 0.84 CYP4F2 (0.63) CYP4F2CYP4A11SMN1; SMN2MAPTLMNA
SCHEMBL3133941 0.82 CYP4F2 (0.61) CYP4F2CYP4A11SMN1; SMN2MAPTLMNA
SCHEMBL479979 0.82 CYP4F2 (0.61) CYP4F2CYP4A11SMN1; SMN2MAPTLMNA
SCHEMBL1198228 0.82 LOXL2 (0.63) CYP4F2CYP4A11SMN1; SMN2MAPTLMNA
SCHEMBL4123759 0.81 CYP4A11 (0.47) CYP4F2CYP4A11MAPTLMNAALDH1A1
SCHEMBL7326535 0.81 CYP4F2 (0.56) CYP4F2CYP4A11SMN1; SMN2MAPTLMNA
SCHEMBL23582497 0.81 CYP4F2 (0.59) CYP4F2CYP4A11SMN1; SMN2MAPTLMNA
SCHEMBL4019274 0.80 CYP4F2 (0.63) CYP4F2CYP4A11SMN1; SMN2MAPTLMNA
SCHEMBL191324 0.80 CYP4F2 (0.63) CYP4F2CYP4A11MAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322682-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE LOXO ONCOLOGY, INC. 2023-10-12 US disclosed
US-20230322682-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE LOXO ONCOLOGY, INC. 2023-10-12 US disclosed
US-20230322682-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE LOXO ONCOLOGY, INC. 2023-10-12 US disclosed
EP-4211117-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE Loxo Oncology, Inc. (US) 2023-07-19 EP disclosed
CN-116438179-A Pyrazole derivatives as RET kinase inhibitors 伊莱利利公司 2023-07-14 CN disclosed
CN-116323553-A Processes and intermediates for preparing (S) -5-amino-3- (4- ((5-fluoro-2-methoxybenzamido) methyl) phenyl) -1- (1, 1-trifluoropropan-2-yl) -1H-pyrazole-4-carboxamide 罗索肿瘤学公司 2023-06-23 CN disclosed
WO-2022056100-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE LOXO ONCOLOGY, INC. (US) 2022-03-17 WO disclosed
CN-101952263-A Romp-polymerizable electron transport materials based on a bis-oxadiazole moiety GEORGIA TECH RES INST 2011-01-19 CN disclosed
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
EP-2234991-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY Georgia Tech Research Corporation (US) 2010-10-06 EP disclosed
WO-2009080797-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 WO disclosed
US-4501912-A AMINO-2-HYDROXYROPYLBENZOATE COMPOUND OR SALT WITH LONG DURATION IN OCULAR FLUID; RAPID METABOLISM AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-02-26 US disclosed
US-4402974-A WITH CARBOXY, OXY, CARBO-AMINE AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1983-09-06 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 (2 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-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety SLCO1B3, SLCO4C1, SLCO2B1 CYP4F2 738/4885CYP4A11 1604/4885SMN1; SMN2 2957/4885
US-20230322682-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE CYP4B1, PFAS, CYP2E1 CYP4F2 86/4885CYP4A11 309/4885SMN1; SMN2 1026/4885

“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.