SCHEMBL26808472

SCHEMBL26808472

Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(N3CCN(C)CC3)cc2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.39
▸ BRD4 O60885 9/20 0.37
▸ RAD52 P43351 2/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ BRD2 P25440 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ BRD3 Q15059 2/20 0.35
▸ BRDT Q58F21 2/20 0.35
▸ BUB1B O60566 1/20 0.35
▸ RET P07949 1/20 0.35
▸ WEE1 P30291 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ MAP4K1 Q92918 3/20 0.35
▸ TNK2 Q07912 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL29566756 1.00 CTSC (0.39) CTSCBRD4RAD52JAK2FLT3
SCHEMBL24309368 0.90 BRD4 (0.39) BRD4RAD52JAK2FLT3JAK1
SCHEMBL29567192 0.88 BRD4 (0.36) BRD4JAK2MAP4K1
SCHEMBL26808522 0.88 BRD4 (0.36) BRD4JAK2MAP4K1
SCHEMBL29566354 0.86 RAD52 (0.37) CTSCBRD4RAD52JAK2FLT3
SCHEMBL24310167 0.86 RAD52 (0.37) CTSCBRD4RAD52JAK2FLT3
SCHEMBL29566963 0.86 RAD52 (0.36) CTSCBRD4RAD52JAK2FLT3
SCHEMBL24310187 0.86 RAD52 (0.36) CTSCBRD4RAD52JAK2FLT3
SCHEMBL24309842 0.86 CTSC (0.39) CTSCBRD4RAD52JAK2JAK3
SCHEMBL24309367 0.86 CTSC (0.42) CTSCBRD4JAK2JAK3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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 (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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CTSC 879/4885BRD4 1716/4885RAD52 4705/4885

“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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