SCHEMBL26808528

SCHEMBL26808528

CC(C)CCc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(N3CCNCC3)cc2)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.38
▸ PTK2 Q05397 3/20 0.33
▸ GUSB P08236 5/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ RIPK2 O43353 2/20 0.33
▸ ACVR1 Q04771 2/20 0.33
▸ NOD2 Q9HC29 2/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ PLA2G7 Q13093 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ FLT4 P35916 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CCND2 P30279 1/20 0.31
▸ CCND3 P30281 1/20 0.31

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 0.93 CTSC (0.34) EGFRPTK2HTR6AXLMERTK
SCHEMBL26808497 0.93 CTSC (0.34) EGFRPTK2HTR6AXLMERTK
SCHEMBL29566808 0.93 DAPK1 (0.36) MAPK10BRD4PLA2G7
SCHEMBL26808500 0.93 DAPK1 (0.36) MAPK10BRD4PLA2G7
SCHEMBL26808531 0.90 RORC (0.34) HTR6
SCHEMBL24310647 0.88 HTR1A (0.33) EGFR
SCHEMBL29568105 0.85 PTK2 (0.34) PTK2HTR6FLT4
SCHEMBL24309837 0.85 PTK2 (0.34) PTK2HTR6FLT4
SCHEMBL26808526 0.83 HTR1A (0.36) HTR6FLT4
SCHEMBL24309621 0.83 HTR1A (0.37) HTR6

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 EGFR 818/4885PTK2 3114/4885GUSB 2723/4885

“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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