SCHEMBL3592467

SCHEMBL3592467

COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
XBP1 P17861 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
TSHR P16473 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL3343557 0.89 RAB9A (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3348958 0.83 LCK (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11181059 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11174375 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL31317416 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9436654 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3593345 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL19474938 0.81 CA1 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL67540 0.77 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL588343 0.77 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US disclosed
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP disclosed
EP-1828172-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 2007-09-05 EP disclosed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 WO 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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 ALDH1A1 3117/4885MAPT 4382/4885MEN1 2925/4885

“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.