SCHEMBL3249145

SCHEMBL3249145

CC(C(=O)c1cccs1)C(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
TSHR P16473 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 3/20 0.47
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KEAP1 Q14145 1/20 0.47
DAO P14920 1/20 0.44
TRPA1 O75762 2/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.42
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL1937375 0.84 RAB9A (0.58) CYP2C9TSHRCYP2D6CYP2C19ALDH1A1
SCHEMBL1681118 0.83 TSHR (0.51) CYP2C9TSHRCYP2D6CYP2C19ALDH1A1
SCHEMBL27427456 0.83 CYP2C9 (0.49) CYP2C9TSHRCYP2D6CYP2C19ALDH1A1
SCHEMBL28376224 0.81 TSHR (0.50) CYP2C9TSHRCYP2D6CYP2C19ALDH1A1
SCHEMBL2802204 0.81 TSHR (0.50) CYP2C9TSHRCYP2D6CYP2C19ALDH1A1
SCHEMBL5873224 0.80 TSHR (0.49) CYP2C9TSHRCYP2D6CYP2C19ALDH1A1
SCHEMBL3839189 0.79 DAO (0.55) CYP2C9TSHRCYP2D6CYP2C19ALDH1A1
SCHEMBL10628291 0.79 TSHR (0.48) CYP2C9TSHRCYP2D6CYP2C19ALDH1A1
SCHEMBL28843649 0.78 RAB9A (0.49) CYP2C9TSHRCYP2D6CYP2C19ALDH1A1
SCHEMBL5873170 0.78 CYP2C19 (0.47) CYP2C9TSHRCYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110800150-A Non-aqueous electrolyte and electrolytic solution containing electrolyte stabilizing material, secondary battery containing the same, and use thereof 株式会社村田制作所 2020-02-14 CN disclosed
EP-3311813-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-08-07 EP disclosed
EP-3311813-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-08-07 EP disclosed
US-10053467-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-21 US disclosed
EP-3311813-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Dart Neuroscience (Cayman) Ltd (KY) 2018-04-25 EP disclosed
EP-3311813-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Dart Neuroscience (Cayman) Ltd (KY) 2018-04-25 EP disclosed
EP-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed
EP-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2017-07-20 US disclosed
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2017-07-20 US disclosed
WO-2009029632-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 US disclosed
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 US disclosed
EP-1559754-B1 INK COMPOSITION NIPPON KAYAKU KK (JP) 2006-12-06 EP disclosed
US-20060001006-A1 Ink compositon NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-01-05 US disclosed
EP-1559754-A1 INK COMPOSITION Nippon Kayaku Kabushiki Kaisha (JP) 2005-08-03 EP disclosed
US-20040082464-A1 Complex polymerization catalysts for the homopolymerization of ethylene and for the copolymerization of ethylene POLIMERI EUROPA S.P.A. (IT) 2004-04-29 US disclosed
EP-1268500-B1 COMPLEX POLYMERIZATION CATALYSTS FOR THE HOMOPOLYMERIZATION OF ETHYLENE AND FOR THE COPOLYMERIZATION OF ETHYLENE POLIMERI EUROPA SPA (IT) 2003-10-01 EP disclosed
EP-1268500-A1 COMPLEX POLYMERIZATION CATALYSTS FOR THE HOMOPOLYMERIZATION OF ETHYLENE AND FOR THE COPOLYMERIZATION OF ETHYLENE Polimeri Europa S.p.A. (IT) 2003-01-02 EP disclosed
WO-2001074831-A1 COMPLEX POLYMERIZATION CATALYSTS FOR THE HOMOPOLYMERIZATION OF ETHYLENE AND FOR THE COPOLYMERIZATION OF ETHYLENE POLIMERI EUROPA S.P.A. (IT) 2001-10-11 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 (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-10053467-B2 Therapeutic isoxazole compounds MAOB, MAOA, XDH CYP2C9 63/4885TSHR 1497/4885CYP2D6 130/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH CYP2C9 63/4885TSHR 1497/4885CYP2D6 130/4885
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH CYP2C9 63/4885TSHR 1497/4885CYP2D6 130/4885
US-20040082464-A1 Complex polymerization catalysts for the homopolymerization of ethylene and for the copolymerization of ethylene ETV6, MVD, ELL CYP2C9 1139/4885TSHR 4714/4885CYP2D6 1170/4885

“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.