SCHEMBL1935705

SCHEMBL1935705

Cc1cc(S(=O)(=O)N(C)Cc2cc(C(=O)O)co2)c(C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
APP P05067 1/20 0.37
TEX264 Q9Y6I9 1/20 0.37
POLB P06746 5/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 3/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
NSD2 O96028 1/20 0.33
ESR1 P03372 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL1935785 0.87 TSHR (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL1935523 0.81 ALDH1A1 (0.46) L3MBTL1APPTEX264POLBHPGD
SCHEMBL1934401 0.79 NR1H4 (0.43) L3MBTL1APPTEX264POLBALDH1A1
SCHEMBL1935700 0.78 L3MBTL1 (0.36) L3MBTL1APPTEX264POLBALDH1A1
SCHEMBL1934444 0.77 L3MBTL1 (0.40) L3MBTL1ALDH1A1KMT2AGAAHSD17B10
SCHEMBL1935740 0.75 NR4A2 (0.41) L3MBTL1
SCHEMBL2237742 0.74 BDKRB1 (0.51) POLBALDH1A1KMT2A
SCHEMBL1935311 0.73 PTPN1 (0.43) L3MBTL1APPTEX264POLBALDH1A1
SCHEMBL1936447 0.70 MAPT (0.42) CA1CA2L3MBTL1POLBALDH1A1
SCHEMBL1935570 0.70 BDKRB1 (0.37) L3MBTL1

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 12 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
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 CA12 4086/4885CA1 2846/4885CA2 2028/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 CA12 4099/4885CA1 2565/4885CA2 1969/4885

“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.