SCHEMBL14446917

SCHEMBL14446917

Cc1ccc(C(F)(F)F)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 4/20 0.49
▸ GAA P10253 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ GLA P06280 3/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HMBS P08397 1/20 0.42
▸ ATM Q13315 1/20 0.37
▸ DAO P14920 2/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SPR P35270 1/20 0.36
▸ CES1 P23141 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.35
▸ AR P10275 3/20 0.34

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
SCHEMBL22674257 0.80 HMBS (0.43) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL25023671 0.77 HMBS (0.40) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL19195022 0.74 HMBS (0.37) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL2912200 0.69 — —
SCHEMBL16224719 0.69 KDM4E (0.60) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL24968371 0.68 HPGD (0.46) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL22315193 0.67 HMBS (0.50) HPGDKDM4EHMBSMAPT
SCHEMBL15527708 0.66 ALDH1A1 (0.38) ALDH1A1KDM4EAR
SCHEMBL1694437 0.66 KDM4E (0.53) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL562812 0.66 KDM4E (1.00) ALDH1A1HPGDGAAKDM4EGLA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577239-B2 Sulfilimines or sulfoximines containing fungicidal heterocyclic compounds PI INDUSTRIES LTD. (IN) 2026-03-17 — — US claimed
CN-115052875-B 4- (4, 5-Dihydroisoxazol-3-yl) thiazol-2-yl) piperidine-thioimine or sulphoxide-imine derivatives and related compounds as fungicides for crop protection PI工业有限公司 2024-07-12 — — CN claimed
US-20230012782-A1 NOVEL SULFILIMINES OR SULFOXIMINES CONTAINING FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2023-01-19 — — US claimed
CN-115052875-A 4- (4- (4, 5-dihydroisoxazol-3-yl) thiazol-2-yl) piperidinethimine or sulfoximine derivatives as fungicides for crop protection and related compounds PI工业有限公司 2022-09-13 — — CN claimed
WO-2018193387-A1 HETEROCYCLIC COMPOUNDS WITH MICROBIOCIDAL PROPERTIES PI INDUSTRIES LTD. (IN) 2018-10-25 — — WO claimed
US-12577239-B2 Sulfilimines or sulfoximines containing fungicidal heterocyclic compounds PI INDUSTRIES LTD. (IN) 2026-03-17 — — US disclosed
CN-115052875-B 4- (4, 5-Dihydroisoxazol-3-yl) thiazol-2-yl) piperidine-thioimine or sulphoxide-imine derivatives and related compounds as fungicides for crop protection PI工业有限公司 2024-07-12 — — CN disclosed
WO-2024017977-A1 IMIDAZOPYRIDINE COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2024-01-25 — — WO disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 — — US disclosed
US-20230012782-A1 NOVEL SULFILIMINES OR SULFOXIMINES CONTAINING FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2023-01-19 — — US disclosed
CN-115052875-A 4- (4- (4, 5-dihydroisoxazol-3-yl) thiazol-2-yl) piperidinethimine or sulfoximine derivatives as fungicides for crop protection and related compounds PI工业有限公司 2022-09-13 — — CN disclosed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 — — WO disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 — — US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 — — 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-20230012782-A1 NOVEL SULFILIMINES OR SULFOXIMINES CONTAINING FUNGICIDAL HETEROCYCLIC COMPOUNDS SULT1E1, SULT1A1, STS ALDH1A1 95/4885HPGD 1348/4885GAA 2544/4885
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D ALDH1A1 424/4885HPGD 177/4885GAA 181/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 ALDH1A1 3447/4885HPGD 1773/4885GAA 2522/4885
US-12577239-B2 Sulfilimines or sulfoximines containing fungicidal heterocyclic compounds SULT1E1, CBR1, SULT1A1 ALDH1A1 159/4885HPGD 2996/4885GAA 3351/4885

“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.

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