SCHEMBL3559641

SCHEMBL3559641

Cc1cc(C=O)ccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
ALDH1A1 P00352 6/20 0.43
ALDH1A3 P47895 2/20 0.43
CYP2A6 P11509 3/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TSHR P16473 1/20 0.38
DAO P14920 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
AOX1 Q06278 1/20 0.35
TRIM24 O15164 1/20 0.35
HPGD P15428 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
SRC P12931 1/20 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
SCHEMBL29417764 1.00 KIF11 (0.51) KIF11ALDH1A1ALDH1A3CYP2A6AKR1C3
SCHEMBL1769710 0.84 KIF11 (0.47) KIF11ALDH1A1ALDH1A3CYP2A6AKR1C3
SCHEMBL17341755 0.82 KIF11 (0.46) KIF11ALDH1A1ALDH1A3CYP2A6AKR1C3
SCHEMBL19543117 0.82 ALDH1A1 (0.44) KIF11ALDH1A1ALDH1A3CYP2A6TSHR
SCHEMBL26704187 0.81 KIF11 (0.50) KIF11ALDH1A1AKR1C3AKR1C2TRIM24
SCHEMBL472408 0.81 KIF11 (0.56) KIF11ALDH1A1CYP2A6AKR1C3AKR1C2
SCHEMBL6849159 0.79 KIF11 (0.55) KIF11ALDH1A1CYP2A6AKR1C3AKR1C2
SCHEMBL29061760 0.78 ALDH1A1 (0.42) KIF11ALDH1A1ALDH1A3CYP2A6TSHR
SCHEMBL18727016 0.78 ALDH1A1 (0.42) KIF11ALDH1A1ALDH1A3CYP2A6TSHR
SCHEMBL24028105 0.78 KIF11 (0.43) KIF11ALDH1A1ALDH1A3CYP2A6AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
US-20250115569-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LTD (GB) 2025-04-10 US disclosed
EP-4436955-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS Lario Therapeutics Limited (GB) 2024-10-02 EP disclosed
CN-118317950-A Sulfonamide compounds for the treatment of neurological disorders 拉里奥治疗有限公司 2024-07-09 CN disclosed
US-20240002350-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2024-01-04 US disclosed
WO-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
WO-2022108980-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-27 WO disclosed
CN-109496213-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2022-03-04 CN disclosed
EP-0088276-A1 Compounds, process for their preparation and their use as pharmaceutical preparations BAYER AG (DE) 1983-09-14 EP disclosed
EP-0039863-A1 1,4-Dihydropyridines with different substituents in positions 2 and 6, processes for their preparation and their use in medicines BAYER AG (DE) 1981-11-18 EP disclosed
US-4248873-A Nitro-substituted 1,4-dihydropyridines, processes for _their production and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1981-02-03 US disclosed
EP-0012180-A1 1,4-Dihydropyridine compounds, their preparation, pharmaceutical compositions containing said compounds and preparation of these compositions BAYER AG (DE) 1980-06-25 EP disclosed
US-4179500-A 1,4-Dihydropyridine-sugar derivatives, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-12-18 US disclosed
EP-0002208-A1 Nitro 1,4-dihydropyridines, medicaments containing them and their manufacture BAYER AG (DE) 1979-06-13 EP disclosed
EP-0001769-A1 Sulfur-containing esters of 1,4-dihydropyridine carboxylic acids, their preparation and pharmaceutical use BAYER AG (DE) 1979-05-16 EP disclosed
US-4044141-A CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-08-23 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 (3 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-20250115569-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS CACNA1A, CACNA1E, CACNA1S KIF11 3898/4885ALDH1A1 3306/4885ALDH1A3 2335/4885
US-20240002350-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS PEBP1, ALOX15, ALOX15B KIF11 4792/4885ALDH1A1 3687/4885ALDH1A3 2301/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC KIF11 4625/4885ALDH1A1 4861/4885ALDH1A3 4859/4885

“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.