SCHEMBL7595160

SCHEMBL7595160

CC(=O)N(Cc1ccccc1CS(=O)(=O)c1ccccc1)c1cc(C(=O)O)ccc1CC[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
HSD11B1 P28845 1/20 0.35
CYP1A2 P05177 1/20 0.34
LMNA P02545 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL7593036 0.84 TAS2R14 (0.42) POLBTSHRKMT2AALDH1A1CYP3A4
SCHEMBL7593525 0.83 TAS2R14 (0.41) POLBKMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL7598805 0.82 TSPO (0.43) POLBKMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL7594765 0.82 ALDH1A1 (0.38) POLBALDH1A1CYP3A4CYP2C19CYP2D6
SCHEMBL7596127 0.81 TSPO (0.48) ALDH1A1LMNATAS2R14
SCHEMBL7594893 0.79 LTB4R2 (0.42) ALDH1A1
SCHEMBL7596184 0.78 LTB4R2 (0.39) HSD17B10ALDH1A1CYP3A4LMNA
SCHEMBL7595241 0.77 PTGES (0.46) KMT2AALDH1A1CYP1A2MEN1
SCHEMBL7594873 0.77 HCAR3 (0.36) POLBKMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL7596743 0.77 NR4A2 (0.40) POLBKMT2AMEN1

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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 POLB 192/4885TSHR 4275/4885HSD17B10 1746/4885

“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.