SCHEMBL29566475

SCHEMBL29566475

CC(C)Cc1ccccc1-c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 5/20 0.37
▸ RIPK2 O43353 4/20 0.37
▸ ACVR1 Q04771 4/20 0.37
▸ NOD2 Q9HC29 4/20 0.37
▸ HTR6 P50406 2/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ MAPK10 P53779 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCND2 P30279 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ MAPK8 P45983 1/20 0.33

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
SCHEMBL24310301 1.00 GUSB (0.37) GUSBRIPK2ACVR1NOD2HTR6
SCHEMBL26807465 0.90 ACVR1 (0.39) GUSBRIPK2ACVR1NOD2HTR6
SCHEMBL26808355 0.89 HTR6 (0.39) GUSBRIPK2ACVR1NOD2HTR6
SCHEMBL26807316 0.88 RIPK2 (0.39) GUSBRIPK2ACVR1NOD2HTR6
SCHEMBL29566726 0.88 RIPK2 (0.39) GUSBRIPK2ACVR1NOD2HTR6
SCHEMBL26807468 0.88 GUSB (0.42) GUSBRIPK2ACVR1NOD2HTR6
SCHEMBL26807460 0.86 HTR6 (0.43) GUSBRIPK2ACVR1NOD2HTR6
SCHEMBL26807466 0.85 FLT3 (0.38) GUSBRIPK2ACVR1NOD2HTR6
SCHEMBL29566750 0.85 HTR2C (0.38) HTR6BRD4CDK4CCND1CCND2
SCHEMBL24310305 0.85 HTR2C (0.38) HTR6BRD4CDK4CCND1CCND2

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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP 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 GUSB 2723/4885RIPK2 3698/4885ACVR1 1319/4885

“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