Sugi Predict

Sugi Predict / Compounds / SCHEMBL601785

SCHEMBL601785

SCHEMBL601785

Oc1cc(C(F)(F)F)nc(C2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 2/20 0.41
▸ LCAT P04180 1/20 0.35
▸ TLR8 Q9NR97 2/20 0.35
▸ TSHR P16473 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ MAP3K12 Q12852 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
SCHEMBL15657602 0.93 KHK (0.45) KHKLCATTLR8TSHRCHRM3
SCHEMBL603721 0.86 KHK (0.32) KHKCHRM3PDE4APDE4BPDE4C
SCHEMBL1286191 0.80 CHRM3 (0.41) TSHRCHRM3PDE4APDE4BPDE4C
SCHEMBL17720579 0.78 HSP90AA1 (0.52) KHKLCATTLR8TSHRCHRM3
SCHEMBL16648444 0.78 KHK (0.39) KHKLCATTLR8TSHRCHRM3
SCHEMBL25406157 0.75 KHK (0.40) KHKLCATTLR8TSHRCHRM3
SCHEMBL4400434 0.75 ATAD2 (0.37) KHKCHRM3PDE4APDE4BPDE4C
SCHEMBL18018353 0.74 KHK (0.39) KHKLCATTLR8TSHRCHRM3
SCHEMBL25404510 0.74 KHK (0.36) KHKLCATTLR8TSHRCHRM3
Hydrochloric Acid SCHEMBL28210241 0.74 KDM4E (0.44) KHKTLR8TSHRHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 — — WO disclosed
CN-107922392-B 1- (hetero) arylsulfonyl- (pyrrolidine or piperidine) -2-carboxamide derivatives and uses thereof 豪夫迈·罗氏有限公司 2020-07-21 — — CN disclosed
EP-3256463-B1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-10-09 — — EP disclosed
EP-3256463-B1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-10-09 — — EP disclosed
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 — — US disclosed
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 — — US disclosed
EP-3256463-A1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2017-12-20 — — EP disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 — — US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 — — US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 — — US disclosed
US-8389442-B2 N-phenyl-′(4-pyridyl)-azinyl!amine derivatives as plant protection agents SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US disclosed
CN-102428082-A Pyrimidine compounds and their use in pest control SUMITOMO CHEMICAL CO 2012-04-25 — — CN disclosed
EP-2432780-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2012-03-28 — — EP disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 — — US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 — — US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 — — US disclosed
WO-2010134478-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 — — WO disclosed
EP-1613156-B1 N-PHENYL- \" (4-PYRIDYL)- AZINYL]AMINE DERIVATIVES AS PLANT PROTECTION AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2009-05-06 — — EP disclosed
US-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents SYNGENTA CROP PROTECTION, INC. 2007-02-08 — — US disclosed
US-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents SYNGENTA CROP PROTECTION, INC. 2007-02-08 — — 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 (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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 KHK 3485/4885LCAT 1430/4885TLR8 534/4885
US-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents CYP1A1, NAT1, AKR7A2 KHK 777/4885LCAT 2593/4885TLR8 2577/4885
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS KHK 382/4885LCAT 3531/4885TLR8 2973/4885
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 KHK 3485/4885LCAT 1430/4885TLR8 534/4885

“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.