SCHEMBL26808497

SCHEMBL26808497

CC(C)CCc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(N3CCN(C)CC3)cc2)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ HTR7 P34969 3/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ BRD4 O60885 5/20 0.32
▸ FGFR4 P22455 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCND2 P30279 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ RORC P51449 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL29566490 1.00 CTSC (0.34) CTSCHTR2CHTR6PTK2HTR7
SCHEMBL26808500 0.94 DAPK1 (0.36) BRD4RORCJAK2ALDH1A1GAA
SCHEMBL29566808 0.94 DAPK1 (0.36) BRD4RORCJAK2ALDH1A1GAA
SCHEMBL26808528 0.93 EGFR (0.38) HTR6PTK2BRD4EGFRCDK4
SCHEMBL26808531 0.91 RORC (0.34) HTR6HTR7RORCALDH1A1GAA
SCHEMBL24310647 0.89 HTR1A (0.33) HTR7EGFRALDH1A1HTR1A
SCHEMBL29568105 0.89 PTK2 (0.34) HTR6PTK2HTR7JAK2HTR1A
SCHEMBL24309837 0.89 PTK2 (0.34) HTR6PTK2HTR7JAK2HTR1A
SCHEMBL24310387 0.87 CTSC (0.35) CTSCPTK2CDK4CCND1CCND2
SCHEMBL26808526 0.84 HTR1A (0.36) HTR6HTR7HTR2AHTR1A

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 879/4885HTR2C 4185/4885HTR6 2653/4885

“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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