SCHEMBL289505

SCHEMBL289505

FC(F)(F)COc1[c]cc(OCC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP2C9 P11712 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SCN5A Q14524 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
HTT P42858 4/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
PAX8 Q06710 2/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL21268441 0.90 NQO1 (0.42) GPR3MAPTALDH1A1CYP2C9CYP17A1
SCHEMBL21268362 0.87 MAPT (0.34) GPR3MAPTALDH1A1CYP2C9CYP17A1
SCHEMBL883938 0.87 PTGS1 (0.39) GPR3MAPTALDH1A1CYP2C9CYP17A1
SCHEMBL17046293 0.81 GPR3 (0.45) GPR3MAPTALDH1A1CYP2C9CYP17A1
SCHEMBL3278789 0.81 ALDH1A1 (0.33) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5437045 0.81 MAPT (0.36) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL21268318 0.79 ALDH1A1 (0.32) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL21268273 0.79 ALDH1A1 (0.32) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL161038 0.79 SMN1; SMN2 (0.35) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL21268177 0.77 HDAC4 (0.31) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10576086-B2 Triazine derivatives as interferon-gamma inhibitors UNIVERSITY OF GREENWICH (GB) 2020-03-03 US claimed
US-20180169105-A1 TRIAZINE DERIVATIVES AS INTERFERON-GAMMA INHIBITORS UNIVERSITY OF GREENWICH (GB) 2018-06-21 US claimed
EP-3307273-A1 TRIAZINE DERIVATIVES AS INTERFERON-GAMMA INHIBITORS University of Greenwich (GB) 2018-04-18 EP claimed
WO-2016198878-A1 TRIAZINE DERIVATIVES AS INTERFERON-GAMMA INHIBITORS UNIVERSITY OF GREENWICH (GB) 2016-12-15 WO claimed
EP-2427058-B1 NEMATOCIDAL SULFONAMIDES DU PONT (US) 2014-12-31 EP claimed
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US claimed
US-8623890-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 US claimed
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 US claimed
EP-2427058-A2 NEMATOCIDAL SULFONAMIDES E. I. du Pont de Nemours and Company (US) 2012-03-14 EP claimed
WO-2010129500-A2 NEMATOCIDAL SULFONAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-11 WO claimed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US claimed
CN-1860114-A Benzoxazinone-derived sulfonamide compounds, process for their preparation and their use as pharmaceuticals ESTEVE LABOR DR (ES) 2006-11-08 CN claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US claimed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO claimed
US-6136825-A ANTIDEPRESSANTS AND CENTRAL NERVOUS SYSTEM AGENTS KNOLL AKTIENGESELLSCHAFT 2000-10-24 US claimed
EP-0948498-A1 SULFONAMIDE COMPOUNDS HAVING 5-HT RECEPTOR ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1999-10-13 EP claimed
WO-1998029411-A1 SULFONAMIDE COMPOUNDS HAVING 5-HT RECEPTOR ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-09 WO claimed

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-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 GPR3 4306/4885MAPT 3069/4885ALDH1A1 53/4885
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 GPR3 1914/4885MAPT 4833/4885ALDH1A1 2283/4885
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 GPR3 1914/4885MAPT 4833/4885ALDH1A1 2283/4885
US-10576086-B2 Triazine derivatives as interferon-gamma inhibitors IFNG, IFNAR1, IRF3 GPR3 2186/4885MAPT 18/4885ALDH1A1 1809/4885
US-20180169105-A1 TRIAZINE DERIVATIVES AS INTERFERON-GAMMA INHIBITORS IFNG, IFNAR1, IRF3 GPR3 2186/4885MAPT 18/4885ALDH1A1 1809/4885

“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.