SCHEMBL3593345

SCHEMBL3593345

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA7 P43166 1/20 0.44
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL4599408 0.89 CA12 (0.50) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL2324813 0.89 CA12 (0.50) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL31317416 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL9436654 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL19474938 0.85 CA1 (0.53) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL24298202 0.83 CNR2 (0.46) ALDH1A1HPGDCA12CA1CA2
SCHEMBL13790627 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL3592467 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL22012125 0.81 CA12 (0.43) ALDH1A1SMN1; SMN2MEN1MAPTHPGD
SCHEMBL16903501 0.81 NOTUM (0.55) ALDH1A1SMN1; SMN2MAPTHPGDCA12

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 3117/4885SMN1; SMN2 4029/4885MEN1 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.