SCHEMBL1673393

SCHEMBL1673393

NCC#Cc1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
THPO P40225 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HMGB1 P09429 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HPGD P15428 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL11070653 0.84 MAPT (0.49) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL5004485 0.83 ALDH1A1 (0.48) CYP1A2NPC1RAB9AALDH1A1ALOX15
SCHEMBL69321 0.82 ALDH1A1 (0.62) NPC1RAB9ABLMALDH1A1ALOX15
SCHEMBL29409566 0.82 ALDH1A1 (0.62) NPC1RAB9ABLMALDH1A1ALOX15
SCHEMBL10810743 0.79 KDM4E (0.45) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL11001393 0.78 RECQL (0.46) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL31244095 0.77 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL31244311 0.77 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL6447254 0.77 CYP2C19 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL31367848 0.77 CA9 (0.50) NPC1RAB9AALDH1A1ALOX15CA12

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 CYP1A2 4648/4885CYP3A4 4718/4885CYP2C9 4695/4885

“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.