SCHEMBL26807773

SCHEMBL26807773

COc1ccccc1Oc1cc(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 2/20 0.43
▸ ACVR1 Q04771 2/20 0.43
▸ NOD2 Q9HC29 2/20 0.43
▸ ALOX12 P18054 2/20 0.42
▸ HTR6 P50406 3/20 0.40
▸ EGFR P00533 4/20 0.40
▸ GUSB P08236 2/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL26807780 0.91 LTA4H (0.47) RIPK2ACVR1NOD2HTR6GUSB
SCHEMBL26807778 0.91 HTR3E (0.46) RIPK2ACVR1NOD2HTR6GUSB
SCHEMBL26807751 0.91 GUSB (0.41) RIPK2ACVR1NOD2ALOX12HTR6
SCHEMBL26807788 0.90 MAPK10 (0.47) RIPK2ACVR1NOD2ALOX12HTR6
SCHEMBL26807765 0.89 ACVR1 (0.39) RIPK2ACVR1NOD2ALOX12HTR6
SCHEMBL24309746 0.88 HTR6 (0.41) RIPK2ACVR1NOD2ALOX12HTR6
SCHEMBL29566968 0.88 HTR6 (0.41) RIPK2ACVR1NOD2ALOX12HTR6
SCHEMBL26807760 0.87 LTA4H (0.48) RIPK2ACVR1NOD2HTR6GUSB
SCHEMBL26807784 0.86 BRD4 (0.39) RIPK2ACVR1NOD2HTR6EGFR
SCHEMBL29567157 0.86 LTA4H (0.41) RIPK2ACVR1NOD2HTR6EGFR

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 RIPK2 3698/4885ACVR1 1319/4885NOD2 724/4885

“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