SCHEMBL24309367

SCHEMBL24309367

CN1CCN(c2ccc(Oc3nc(NS(=O)(=O)c4cnn(C)c4)nc(Cl)c3C(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.42
▸ EGFR P00533 11/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAP3K7 O43318 2/20 0.36
▸ HTR7 P34969 1/20 0.35
▸ BRD4 O60885 3/20 0.35
▸ MAP2K1 Q02750 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ BLK P51451 1/20 0.34
▸ BMX P51813 1/20 0.34
▸ JAK3 P52333 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
SCHEMBL29566620 1.00 CTSC (0.42) CTSCEGFRALDH1A1MAP3K7HTR7
SCHEMBL24309808 0.91 CTSC (0.46) CTSCEGFRHTR7JAK2BLK
SCHEMBL29566696 0.91 CTSC (0.46) CTSCEGFRHTR7JAK2BLK
SCHEMBL29566415 0.89 AURKA (0.37) EGFRALDH1A1BRD4
SCHEMBL24310648 0.89 AURKA (0.37) EGFRALDH1A1BRD4
SCHEMBL24309771 0.87 PTK2 (0.35) EGFRHTR7BRD4JAK2
SCHEMBL29567013 0.87 PTK2 (0.35) EGFRHTR7BRD4JAK2
SCHEMBL29566756 0.86 CTSC (0.39) CTSCALDH1A1BRD4JAK2JAK3
SCHEMBL26808472 0.86 CTSC (0.39) CTSCALDH1A1BRD4JAK2JAK3
SCHEMBL29567018 0.84 HTR6 (0.35) CTSCHTR7BRD4

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
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
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 879/4885EGFR 818/4885ALDH1A1 3992/4885

“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.

Send feedback