Sugi Predict

Sugi Predict / Compounds / SCHEMBL46757

SCHEMBL46757

SCHEMBL46757

CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.63
▸ HTR2B P41595 2/20 0.63
▸ HTR2C P28335 1/20 0.63
▸ TAAR1 Q96RJ0 1/20 0.62
▸ IDO1 P14902 2/20 0.60
▸ SIGMAR1 Q99720 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ ADRA2C P18825 1/20 0.59
▸ SLC6A4 P31645 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ DRD3 P35462 1/20 0.59
▸ OPRK1 P41145 1/20 0.59
▸ ACP3 P15309 1/20 0.56
▸ MIF P14174 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAOB P27338 3/20 0.50
▸ TSHR P16473 1/20 0.50

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
Ammonia Solution, Strong SCHEMBL266843 0.98 HTR2A (0.61) HTR2AHTR2BHTR2CTAAR1IDO1
Hydrochloric Acid SCHEMBL21272642 0.96 IDO1 (0.59) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL12330478 0.90 HTR2A (0.54) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL27361690 0.89 HTR2A (0.53) HTR2AHTR2BHTR2CTAAR1IDO1
Acetic Acid SCHEMBL3077099 0.89 ACP3 (0.56) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL25949968 0.89 TAAR1 (0.61) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL13237463 0.86 IDO1 (0.51) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL30876859 0.85 TAAR1 (0.67) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL429769 0.85 TAAR1 (0.67) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL17805427 0.84 HTR2A (0.47) HTR2AHTR2BHTR2CTAAR1IDO1

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 1319 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447468-A Bazedoxifene derivative and preparation method and application thereof 中国药科大学 2024-01-26 — — CN claimed
US-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-11-02 — — US claimed
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-06-08 — — US claimed
EP-4146623-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 — — EP claimed
EP-4146624-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 — — EP claimed
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2022-07-07 — — US claimed
WO-2021224864-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 — — WO claimed
WO-2021224865-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 — — WO claimed
WO-2020229968-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2020-11-19 — — WO claimed
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 — — EP claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 — — EP claimed
WO-2010025870-A1 SYNERGISTIC COMBINATIONS OF THIADIAZOL CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-03-11 — — WO claimed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 — — US claimed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 — — EP claimed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 — — WO claimed
WO-2004022542-A2 SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES Grünenthal GmbH (DE) 2004-03-18 — — WO claimed
EP-4157844-B1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-07-10 — — EP disclosed
WO-2024105159-A1 LIGANDS OF THE M6A-RNA READERS UNIVERSITY OF ZURICH (CH) 2024-05-23 — — WO disclosed
US-4467125-A HERBICIDES MONSANTO COMPANY (US) 1984-08-21 — — US disclosed
EP-0084320-A2 4-Alkyl-2-trifluoromethyl anilines BAYER AG (DE) 1983-07-27 — — EP 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-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA HTR2A 4501/4885HTR2B 4096/4885HTR2C 4681/4885
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA HTR2A 4501/4885HTR2B 4096/4885HTR2C 4681/4885
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA HTR2A 4501/4885HTR2B 4096/4885HTR2C 4681/4885
US-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB HTR2A 4400/4885HTR2B 3690/4885HTR2C 4228/4885

“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.