SCHEMBL25387702

SCHEMBL25387702

O=C(Cl)c1ccc(O)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.47
ESRRG P62508 1/20 0.45
HSD17B3 P37058 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TSHR P16473 1/20 0.39
TRPV1 Q8NER1 4/20 0.39
GFER P55789 1/20 0.39
KIF11 P52732 1/20 0.38
P2RX1 P51575 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL187787 0.84 ALDH1A1 (0.57) CES2ESRRGHSD17B3ALDH1A1CA12
SCHEMBL11209094 0.84 CES2 (0.50) CES2ESRRGHSD17B3ALDH1A1CA12
SCHEMBL31252817 0.81 ESRRG (0.48) CES2ESRRGHSD17B3ALDH1A1CA12
SCHEMBL30518051 0.81 CES2 (0.72) CES2ALDH1A1CA1CA2CA7
SCHEMBL24177167 0.81 CES2 (0.47) CES2ESRRGHSD17B3ALDH1A1CA12
SCHEMBL110827 0.81 RAB9A (0.49) CES2TSHRP2RX1FLT1FLT4
SCHEMBL9059816 0.81 ALDH1A1 (0.53) CES2ESRRGALDH1A1CA12CA1
SCHEMBL937022 0.81 CES2 (0.72) CES2ALDH1A1CA1CA2CA7
SCHEMBL679186 0.81 CES2 (0.47) CES2ALDH1A1P2RX1ALOX15
SCHEMBL29789661 0.81 CES2 (0.47) CES2ESRRGHSD17B3ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493182-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR Huyabio International, LLC (US) 2025-01-22 EP disclosed
WO-2023177593-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC (US) 2023-09-21 WO disclosed
US-20230286925-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 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 (1 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-20230286925-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR WDR5, MLLT1, WDR1 CES2 3365/4885ESRRG 2820/4885HSD17B3 3054/4885

“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.