SCHEMBL1935797

SCHEMBL1935797

CCN(Cc1cc(C(=O)O)co1)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NR1H4 Q96RI1 2/20 0.42
DAGLA Q9Y4D2 2/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
TAS2R14 Q9NYV8 5/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1935636 0.87 TP53 (0.44) KMT2ASMN1; SMN2DAGLAALDH1A1LMNA
SCHEMBL1934401 0.86 NR1H4 (0.43) KMT2ASMN1; SMN2NR1H4DAGLAALDH1A1
Trifluoroacetic Acid SCHEMBL1936474 0.83 TP53 (0.40) KMT2ASMN1; SMN2DAGLAALDH1A1LMNA
SCHEMBL1935721 0.77 TAS2R14 (0.45) ALDH1A1TAS2R14
Trifluoroacetic Acid SCHEMBL2239947 0.75 APAF1 (0.42) KMT2ASMN1; SMN2DAGLAALDH1A1LMNA
SCHEMBL1935808 0.74 TP53 (0.42) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL12346748 0.73 BDKRB1 (0.45)
SCHEMBL1935523 0.70 ALDH1A1 (0.46) KMT2ASMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL1935705 0.67 CA12 (0.38) KMT2ASMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL2253608 0.67 DAGLA (0.45) KMT2ASMN1; SMN2NR1H4DAGLAALDH1A1

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 KMT2A 1859/4885SMN1; SMN2 4510/4885NR1H4 954/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 KMT2A 2057/4885SMN1; SMN2 4544/4885NR1H4 936/4885

“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.