SCHEMBL1858295

SCHEMBL1858295

CC(C)(C)C1=CC=CC(N(C(=O)O)c2ccc(Br)cc2)C1=S(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.32
CHRM3 P20309 2/20 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
SCHEMBL1862227 0.86 MTNR1A (0.32)
SCHEMBL1856840 0.75 CHRM2 (0.33) CHRM2CHRM3
SCHEMBL1859874 0.65 MTNR1A (0.32)
SCHEMBL12614459 0.60 CHRM3 (0.52) CHRM2CHRM3
SCHEMBL16594120 0.59 KMT2A (0.42)
SCHEMBL1858051 0.58 MEN1 (0.33)
SCHEMBL2095645 0.56 ALDH1A1 (0.44)
SCHEMBL10776548 0.55 LMNA (0.34) CHRM2CHRM3
SCHEMBL6825235 0.54 MEN1 (0.39) CHRM2CHRM3
SCHEMBL2588241 0.54 CHRM2 (0.42) CHRM2CHRM3

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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 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 (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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS CHRM2 264/4885CHRM3 254/4885

“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.