SCHEMBL1934444

SCHEMBL1934444

Cc1cc(O)cc(C)c1S(=O)(=O)N(C)Cc1cc(C(=O)O)co1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
HCAR1 Q9BXC0 1/20 0.36
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
STAT5B P51692 3/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
RAF1 P04049 1/20 0.32
NR4A2 P43354 1/20 0.32
CYP3A4 P08684 1/20 0.32
ACHE P22303 1/20 0.32
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31

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
SCHEMBL1935740 0.88 NR4A2 (0.41) L3MBTL1NR4A2TAS2R14
SCHEMBL1935570 0.80 BDKRB1 (0.37) L3MBTL1NR4A2TAS2R14
SCHEMBL1934401 0.79 NR1H4 (0.43) L3MBTL1ALDH1A1KMT2ATAS2R14
SCHEMBL1935700 0.78 L3MBTL1 (0.36) L3MBTL1GAAHSD17B10ALDH1A1KMT2A
SCHEMBL1935951 0.78 BDKRB1 (0.43) NR4A2
SCHEMBL1935705 0.77 CA12 (0.38) L3MBTL1GAAHSD17B10ALDH1A1KMT2A
SCHEMBL1936674 0.75 NR4A2 (0.39) L3MBTL1GAAHSD17B10NR4A2TAS2R14
SCHEMBL1935721 0.75 TAS2R14 (0.45) L3MBTL1ALDH1A1NR4A2TAS2R14
SCHEMBL1936152 0.75 CYP3A4 (0.41) CYP3A4
SCHEMBL1934593 0.73 AVPR1B (0.39) L3MBTL1KMT2ANR4A2TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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 (2 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 L3MBTL1 2404/4885HCAR1 169/4885GAA 4560/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 L3MBTL1 2744/4885HCAR1 196/4885GAA 4464/4885

“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.