SCHEMBL25835986

SCHEMBL25835986

Cc1ccc(-n2cnnc2S(C)(=O)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.43
PTGS1 P23219 4/20 0.40
EP300 Q09472 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HCAR1 Q9BXC0 1/20 0.36
PKM P14618 1/20 0.36
BRD4 O60885 1/20 0.34
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
CTRC Q99895 1/20 0.34

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
SCHEMBL11375905 0.82 ALDH1A1 (0.48) PTGS2PTGS1LMNAMAPTHCAR1
SCHEMBL25836116 0.74 F2 (0.40) EP300HCAR1BRD4F2ELANE
SCHEMBL25835993 0.71 TUBB4A (0.42) EP300LMNAHCAR1
SCHEMBL23196649 0.69 ALPG (0.46) LMNAMAPT
SCHEMBL25836039 0.68 TUBB4A (0.40) PTGS2EP300LMNAMAPTHCAR1
SCHEMBL1047014 0.67 GAA (0.36) LMNATP53MAPT
SCHEMBL25836001 0.66 CACNA2D1 (0.39) EP300LMNATP53HCAR1
SCHEMBL25835836 0.66 EP300 (0.40) EP300LMNAMAPTHCAR1BRD4
SCHEMBL25835868 0.64 L3MBTL1 (0.36) EP300LMNA
SCHEMBL25835874 0.64 NPSR1 (0.38) EP300LMNATP53MAPTHCAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AVPR1A, AVPR1B, AVPR2 PTGS2 2981/4885PTGS1 1392/4885EP300 1862/4885

“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.