SCHEMBL24309808

SCHEMBL24309808

CN1CCN(c2cccc(Oc3nc(NS(=O)(=O)c4cnn(C)c4)nc(Cl)c3C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 3/20 0.46
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ EGFR P00533 16/20 0.40
▸ GUSB P08236 1/20 0.39
▸ NUAK1 O60285 2/20 0.38
▸ NUAK2 Q9H093 2/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ BLK P51451 2/20 0.38
▸ BMX P51813 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ PLK4 O00444 1/20 0.36
▸ GAK O14976 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ BTK Q06187 1/20 0.36

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
SCHEMBL29566696 1.00 CTSC (0.46) CTSCHTR1AHTR2AHTR2CHTR7
SCHEMBL24309367 0.91 CTSC (0.42) CTSCHTR7EGFRJAK2BLK
SCHEMBL29566620 0.91 CTSC (0.42) CTSCHTR7EGFRJAK2BLK
SCHEMBL24310675 0.88 HTR1A (0.43) CTSCHTR1AHTR2AHTR2CHTR7
SCHEMBL24309842 0.86 CTSC (0.39) CTSCHTR1AHTR2AHTR2CHTR7
SCHEMBL29567018 0.85 HTR6 (0.35) CTSCHTR1AHTR2AHTR2CHTR7
SCHEMBL26808480 0.85 HTR6 (0.35) CTSCHTR1AHTR2AHTR2CHTR7
SCHEMBL29566415 0.83 AURKA (0.37) EGFR
SCHEMBL24310648 0.83 AURKA (0.37) EGFR
SCHEMBL24309810 0.83 CTSC (0.47) CTSCEGFRNUAK1NUAK2JAK2

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 879/4885HTR1A 4018/4885HTR2A 3630/4885

“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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