SCHEMBL21169844

SCHEMBL21169844

CCc1onc(O)c1C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL14707647 0.74
SCHEMBL737218 0.72
SCHEMBL25456226 0.68
SCHEMBL31332940 0.65 IDO1 (0.30)
SCHEMBL25042523 0.65
SCHEMBL31697688 0.63
SCHEMBL13222403 0.63 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL17464658 0.63 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL31332866 0.62
SCHEMBL22726078 0.62 KDM5B (0.32)

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-10633354-B2 Substituted tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-28 US disclosed
US-20190218193-A1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-07-18 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-10633354-B2 Substituted tricyclic heterocyclic compounds S1PR1, S1PR3, S1PR2 DHODH 1433/4885PTGS1 135/4885PTGS2 367/4885
US-20190218193-A1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 DHODH 1433/4885PTGS1 135/4885PTGS2 367/4885

“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.