SCHEMBL2878341

SCHEMBL2878341

CCN(c1ccccc1OC)S(=O)(=O)c1cc(-c2[nH]c3ccccc3c2C(=O)C(=O)OC)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR1 P03372 1/20 0.41
MAPK1 P28482 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39

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
SCHEMBL2878396 0.91 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPK1
SCHEMBL2873358 0.87 MEN1 (0.47) ALDH1A1MEN1KMT2ATUBB4ATUBB
SCHEMBL2873655 0.86 KMT2A (0.47) ALDH1A1MEN1KMT2AESR1MAPK1
SCHEMBL2873172 0.86 ESR1 (0.43) ALDH1A1MEN1KMT2AESR1
SCHEMBL2876517 0.85 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AESR1MAPK1
SCHEMBL2869095 0.79 MEN1 (0.50) ALDH1A1MEN1KMT2ATUBB4ATUBB
SCHEMBL2878337 0.79 MAPT (0.47) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL2878435 0.78 EGFR (0.39) ALDH1A1MEN1KMT2AMAPK1
SCHEMBL2873492 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPK1
SCHEMBL2878276 0.74 MAPT (0.48) ALDH1A1MEN1KMT2A

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
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 EP disclosed
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
EP-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 EP disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 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-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 ALDH1A1 1757/4885MEN1 4753/4885KMT2A 3055/4885

“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.