SCHEMBL95722

SCHEMBL95722

O=[C]c1c(F)cc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
ERN1 O75460 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
DAO P14920 1/20 0.33
TGM2 P21980 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9712517 0.83 CES2 (0.31) CES2CES1
SCHEMBL566436 0.78 SELL (0.32) TRPV4
SCHEMBL9712347 0.78 TSHR (0.35) TRPV4
SCHEMBL2951474 0.78 TRPV4 (0.31) TRPV4
SCHEMBL23877898 0.74 CYP1A1 (0.31)
SCHEMBL7300875 0.72 TAAR1 (0.45) ALDH1A1CA12CA1CA9
SCHEMBL2336780 0.71 TRPV4 (0.33) CES2CES1ERN1TRPV4ALDH1A1
SCHEMBL3974422 0.71 CA1 (0.39) CES2CES1CA12CA1
SCHEMBL18245169 0.71 TRPV4 (0.33) CES2CES1ERN1TRPV4ALDH1A1
SCHEMBL95707 0.71 CES2 (0.42) CES2CES1ERN1DAOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150378-A 1-((1-HALO-SUBSTITUTEDBENZOYLAMINO)-2-PHENYLETHYL)-CARBONYL -CARBONYLAMINO),2-PHENYL OR PYRID-2-YLSULFAMIDO)ETHANE DERIVATIVES; MUSCULAR DYSTROPHY, NEURODEGENERATION, STROKE, ALZHEIMER'S, AMYOTROPHY, MOTOR NEURON DAMAGE, CNS INJURY CEPHALON, INC. (US) 2000-11-21 US claimed
EP-4073056-B1 PROCESS FOR THE PREPARATION OF LASMIDITAN AND OF A SYNTHESIS INTERMEDIATE OLON SPA (IT) 2024-04-17 EP disclosed
US-11939301-B2 5HT1F receptor agonists and mitochondrial biogenesis MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2024-03-26 US disclosed
US-20210238147-A1 5HT1F RECEPTOR AGONISTS AND MITOCHONDRIAL BIOGENESIS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2021-08-05 US disclosed
US-11014892-B2 5HT1F receptor agonists and mitochondrial biogenesis MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2021-05-25 US disclosed
US-20200055827-A1 5HT1F RECEPTOR AGONISTS AND MITOCHONDRIAL BIOGENESIS MEDICAL UNIVERSITY OF SOUTH CAROLINA 2020-02-20 US disclosed
US-9608287-B2 Non-aqueous electrolytic solution, electrical storage device utilizing same, and cyclic sulfonic acid ester compound UBE INDUSTRIES, LTD. (JP) 2017-03-28 US disclosed
EP-2462959-B1 Methods and products for treatment of diseases AMPIO PHARMACEUTICALS INC (US) 2016-06-22 EP disclosed
US-9318776-B2 Nonaqueous electrolyte solution and electricity storage device using same UBE INDUSTRIES, LTD. (JP) 2016-04-19 US disclosed
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
EP-1021199-A4 PEPTIDE-CONTAINING $g(a)-KETOAMIDE CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON INC (US) 2003-08-20 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
US-6288231-B1 ENZYME INHIBITORS CEPHALON, INC. 2001-09-11 US disclosed
US-6150378-A 1-((1-HALO-SUBSTITUTEDBENZOYLAMINO)-2-PHENYLETHYL)-CARBONYL -CARBONYLAMINO),2-PHENYL OR PYRID-2-YLSULFAMIDO)ETHANE DERIVATIVES; MUSCULAR DYSTROPHY, NEURODEGENERATION, STROKE, ALZHEIMER'S, AMYOTROPHY, MOTOR NEURON DAMAGE, CNS INJURY CEPHALON, INC. (US) 2000-11-21 US disclosed
EP-1021199-A1 PEPTIDE-CONTAINING $g(a)-KETOAMIDE CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 2000-07-26 EP disclosed
WO-1999017790-A1 PEPTIDE-CONTAINING α-KETOAMIDE CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON INC. (US) 1999-04-15 WO disclosed
US-5436242-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof for inhibiting blood platelet aggregation SANKYO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
US-5288726-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation UBE INDUSTRIES LIMITED (JP) 1994-02-22 US disclosed
EP-0542411-A2 Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation Sankyo Company Limited (JP) 1993-05-19 EP disclosed
US-4021248-A SILVER HALIDE FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 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 (5 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-11939301-B2 5HT1F receptor agonists and mitochondrial biogenesis HTR1F, HTR1A, TFAM CES2 4213/4885CES1 2716/4885ERN1 3284/4885
US-11014892-B2 5HT1F receptor agonists and mitochondrial biogenesis HTR1F, HTR1A, TFAM CES2 4213/4885CES1 2716/4885ERN1 3284/4885
US-20200055827-A1 5HT1F RECEPTOR AGONISTS AND MITOCHONDRIAL BIOGENESIS HTR1F, HTR1A, TFAM CES2 4213/4885CES1 2716/4885ERN1 3284/4885
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE HCN2, SCO2, HCN1 CES2 83/4885CES1 624/4885ERN1 96/4885
US-20210238147-A1 5HT1F RECEPTOR AGONISTS AND MITOCHONDRIAL BIOGENESIS HTR1F, HTR1A, TFAM CES2 4213/4885CES1 2716/4885ERN1 3284/4885

“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.