SCHEMBL514680

SCHEMBL514680

CSc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MAPT P10636 3/20 0.42
EPHX2 P34913 1/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KIF11 P52732 1/20 0.41
PDE2A O00408 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
GPR3 P46089 1/20 0.39
MAOB P27338 1/20 0.39
AOC3 Q16853 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38

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
SCHEMBL944451 0.81 EPHX2 (0.50) MAPTEPHX2L3MBTL1NOS3NOS1
SCHEMBL254957 0.80 MAPT (0.56) MAPTEPHX2LMNAL3MBTL1ALDH1A1
SCHEMBL14265721 0.79 CYP1A1 (0.45) CYP1A1CYP1A2CYP1B1NOS3NOS1
SCHEMBL13923555 0.78 PDE2A (0.42) MAPTEPHX2LMNAL3MBTL1NOS3
SCHEMBL7955721 0.78 MAPT (0.40) MAPTEPHX2LMNAL3MBTL1NOS3
SCHEMBL2337379 0.78 MAOB (0.41) CYP1A1CYP1A2CYP1B1MAPTLMNA
SCHEMBL17791002 0.77 MAPT (0.47) MAPTEPHX2LMNAL3MBTL1NOS3
SCHEMBL2949216 0.77 MAPT (0.42) MAPTEPHX2L3MBTL1NOS3NOS1
SCHEMBL514679 0.77 MAPT (0.42) MAPTEPHX2L3MBTL1NOS3NOS1
SCHEMBL5043580 0.77 MAPT (0.42) MAPTEPHX2L3MBTL1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 EP disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2023115327-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION 中国药科大学 2023-06-29 WO disclosed
EP-4198023-A1 PESTICIDALLY ACTIVE THIOSEMICARBAZONE COMPOUNDS BASF SE (DE) 2023-06-21 EP disclosed
US-11319319-B1 Compounds for inhibiting NLRP3 and uses thereof VENTUS THERAPEUTICS U.S., INC. (US) 2022-05-03 US disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
US-10457707-B2 Substituted urea depsipeptide analogs as activators of the CLPP endopeptidase ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-29 US disclosed
US-10399943-B2 Antifungal compound process Mycovia Pharmaceuticals, Inc. (US) 2019-09-03 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO disclosed
EP-0933354-B1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-03-30 EP disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
US-4552984-A SULFONYLATION IN PRESENCE OF BORON TRIFLUORIDE, HYDROGEN FLUORIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-11-12 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 (8 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 CYP1A1 3175/4885CYP1A2 3084/4885CYP1B1 2600/4885
US-10457707-B2 Substituted urea depsipeptide analogs as activators of the CLPP endopeptidase CLPP, DNPEP, PEPD CYP1A1 3966/4885CYP1A2 3922/4885CYP1B1 4303/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CYP1A1 3139/4885CYP1A2 3410/4885CYP1B1 2759/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 CYP1A1 627/4885CYP1A2 946/4885CYP1B1 442/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CYP1A1 3329/4885CYP1A2 3611/4885CYP1B1 3022/4885
US-10399943-B2 Antifungal compound process ERG28, DPM1, CYP51A1 CYP1A1 60/4885CYP1A2 113/4885CYP1B1 38/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR CYP1A1 3569/4885CYP1A2 3946/4885CYP1B1 2361/4885
US-11319319-B1 Compounds for inhibiting NLRP3 and uses thereof NLRP3, NLRP1, PYCARD CYP1A1 3349/4885CYP1A2 3888/4885CYP1B1 3009/4885

“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.