SCHEMBL171613

SCHEMBL171613

Cc1cc(Cl)cc(S(=O)(=O)N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL11685020 0.87 ALDH1A1 (0.50) VCAM1ALDH1A1MAPTLMNAHTT
SCHEMBL13404422 0.78 KMT2A (0.46) VCAM1ALDH1A1LMNAHTTMEN1
SCHEMBL24757946 0.77 PTGS2 (0.40) LMNAFFAR4
SCHEMBL2055455 0.77 FFAR4 (0.39) ALDH1A1HSD17B10FFAR4
SCHEMBL2434891 0.76 MAPT (0.42) VCAM1ALDH1A1MAPTLMNAHTT
SCHEMBL12326398 0.76 ALDH1A1 (0.48) VCAM1ALDH1A1MAPTLMNAHTT
SCHEMBL799304 0.76 PGR (0.39) VCAM1ALDH1A1MAPTLMNAHTT
SCHEMBL11174375 0.74 ALDH1A1 (0.49) VCAM1ALDH1A1MAPTLMNAHTT
SCHEMBL11183301 0.74 MEN1 (0.41) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL11181059 0.74 ALDH1A1 (0.49) VCAM1ALDH1A1MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP disclosed
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US disclosed
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 VCAM1 3886/4885ALDH1A1 3117/4885MAPT 4382/4885

“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.