SCHEMBL1673392

SCHEMBL1673392

NCC#Cc1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP1A2 P05177 3/20 0.55
THPO P40225 1/20 0.55
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
FOLH1 Q04609 1/20 0.43
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
CYP2E1 P05181 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2A6 P11509 2/20 0.42
CYP2B6 P20813 2/20 0.42
KMO O15229 1/20 0.42

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
SCHEMBL25220506 0.86 CYP3A4 (0.50) CYP2C9CYP3A4CYP2C19CYP1A2THPO
SCHEMBL30426279 0.86 CYP3A4 (0.50) CYP2C9CYP3A4CYP2C19CYP1A2THPO
SCHEMBL4973133 0.83 CA12 (0.56) CYP2C9CYP1A2CA12CA1CA2
SCHEMBL10055174 0.82 CYP2C19 (0.47) CYP2C9CYP3A4CYP2C19CYP1A2THPO
SCHEMBL46622 0.81 ASIC3 (0.48) CYP2C9CYP2C19CYP1A2CA12CA1
SCHEMBL10412856 0.80 CA12 (0.52) CYP2C9CYP1A2CA12CA1CA2
SCHEMBL1927619 0.80 SLC7A11 (0.55) CYP2C9CYP1A2CA12CA1CA2
SCHEMBL31244037 0.79 CYP2C19 (0.70) CYP2C9CYP3A4CYP2C19CYP1A2THPO
SCHEMBL16719361 0.79 GRM5 (0.55) CYP2C9CYP3A4CYP2C19CYP1A2BLM
SCHEMBL13780436 0.77 CA12 (0.48) CYP2C9CYP1A2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214691-B1 COMPOUNDS EXHIBITING GLUCAGON ANTAGONIST AND GLP-1 AGONIST ACTIVITY UNIV INDIANA RES & TECH CORP (US) 2015-09-30 EP disclosed
US-8980830-B2 Peptide compounds exhibiting glucagon antagonist and GLP-1 agonist activity INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-03-17 US disclosed
US-20110098217-A1 COMPOUNDS EXHIBITING GLUCAGON ANTAGONIST AND GLP-1 AGONIST ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-04-28 US disclosed
EP-2214691-A1 COMPOUNDS EXHIBITING GLUCAGON ANTAGONIST AND GLP-1 AGONIST ACTIVITY Indiana University Research and Technology Corporation (US) 2010-08-11 EP disclosed
WO-2009058734-A1 COMPOUNDS EXHIBITING GLUCAGON ANTAGONIST AND GLP-1 AGONIST ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2009-05-07 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-20110098217-A1 COMPOUNDS EXHIBITING GLUCAGON ANTAGONIST AND GLP-1 AGONIST ACTIVITY GLP1R, GIPR, GCGR CYP2C9 4695/4885CYP3A4 4718/4885CYP2C19 4674/4885

“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.