SCHEMBL23733258

SCHEMBL23733258

COc1cccc(F)c1C(=N)N1CCN(c2ncc(C(=O)O)cc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.49
SLC2A1 P11166 1/20 0.43
RORC P51449 1/20 0.43

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
SCHEMBL23283045 0.87 P2RY12 (0.47) P2RY12SLC2A1RORC
SCHEMBL23074502 0.80 MAPK1 (0.48) P2RY12SLC2A1
SCHEMBL24835211 0.79 P2RY12 (0.47) P2RY12SLC2A1
SCHEMBL30778005 0.74 P2RY12 (0.47) P2RY12SLC2A1
SCHEMBL23064283 0.74 P2RY12 (0.47) P2RY12SLC2A1
SCHEMBL23074480 0.73 P2RY12 (0.48) P2RY12
SCHEMBL23064356 0.73 RORC (0.42) P2RY12SLC2A1RORC
SCHEMBL23064353 0.73 RORC (0.42) P2RY12SLC2A1RORC
SCHEMBL30778002 0.73 RORC (0.42) P2RY12SLC2A1RORC
SCHEMBL23283055 0.73 ABL1 (0.48) P2RY12

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-11548882-B2 Benzisoxazole compound OSAKA UNIVERSITY (JP) 2023-01-10 US disclosed
US-20210238171-A1 BENZISOXAZOLE COMPOUND INTER-UNIVERSITY RESEARCH INSTITUTE CORPORATION NATIONAL INSTITUTES OF NATURAL SCIENCES (JP) 2021-08-05 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 (2 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-20210238171-A1 BENZISOXAZOLE COMPOUND CBR1, CYP2S1, CYP2E1 P2RY12 1892/4885SLC2A1 1220/4885RORC 1011/4885
US-11548882-B2 Benzisoxazole compound CBR1, CYP2S1, CYP2E1 P2RY12 1892/4885SLC2A1 1220/4885RORC 1011/4885

“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.