SCHEMBL20125607

SCHEMBL20125607

CCc1onc(C)c1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL16019508 0.78 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL17761929 0.78 S1PR1 (0.33) PTGS1PTGS2
SCHEMBL6611601 0.73
SCHEMBL2612162 0.72
SCHEMBL104897 0.72 GAA (0.50) GAA
SCHEMBL12824830 0.70 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL11293798 0.70 GAA (0.35) GAA
SCHEMBL22861185 0.70 S1PR1 (0.33) PTGS1PTGS2
SCHEMBL19422760 0.69
SCHEMBL17624098 0.68

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-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE GENENTECH INC (US) 2023-09-21 US disclosed
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2021-10-14 US disclosed
US-20180127413-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2018-05-10 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 (3 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-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE DPYD, TP53, GLS GAA 1211/4885PTGS1 309/4885PTGS2 265/4885
US-20180127413-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, TOP2A GAA 280/4885PTGS1 1847/4885PTGS2 1732/4885
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR EP300, CREBBP, HDAC11 GAA 4527/4885PTGS1 3061/4885PTGS2 4110/4885

“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.