SCHEMBL27228701

SCHEMBL27228701

CCOc1c[nH]c(=O)cc1-c1c(-n2cc(C(F)(F)F)nn2)ccc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 18/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ KLKB1 P03952 13/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ NOTUM Q6P988 2/20 0.33

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
SCHEMBL27003502 0.90 F11 (0.40) F11KLK1KLKB1CYP3A4F2
SCHEMBL29839754 0.90 F11 (0.40) F11KLK1KLKB1CYP3A4F2
SCHEMBL29839752 0.90 F11 (0.40) F11KLK1KLKB1CYP3A4F2
SCHEMBL31174097 0.86 F11 (0.38) F11KLK1KLKB1CYP3A4NOTUM
SCHEMBL31252533 0.77 F11 (0.38) F11KLK1NOTUM
SCHEMBL31174041 0.77 F11 (0.39) F11KLK1KLKB1NOTUM
SCHEMBL31174073 0.76 F11 (0.40) F11KLK1NOTUM
SCHEMBL27003504 0.75 F11 (0.40) F11KLK1KLKB1CYP3A4F2
SCHEMBL29839755 0.75 F11 (0.40) F11KLK1KLKB1CYP3A4F2
SCHEMBL31174079 0.74 NOTUM (0.37) F11KLK1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174633-A1 CRYSTALLINE FORMS OF (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5-DIOXO-14-(TRIFLUORO-METHYL)-32H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-DIBENZENAHEPTAPHANE-74-CARBOXAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 — — 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-20240174633-A1 CRYSTALLINE FORMS OF (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5-DIOXO-14-(TRIFLUORO-METHYL)-32H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-DIBENZENAHEPTAPHANE-74-CARBOXAMIDE CYP4F2, CYP4F8, CYP4F12 F11 4702/4885KLK1 2240/4885KLKB1 3780/4885

“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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