SCHEMBL1439708

SCHEMBL1439708

COc1cc(C(=O)C2C(=O)c3cc(-c4cncc(C(=O)O)c4)ccc3OC23CCNCC3)nc2c(C3CC3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
NR1H4 Q96RI1 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
PDE4D Q08499 1/20 0.30

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
SCHEMBL2353047 1.00 ACACB (0.39) ACACBACACANR1H4CYP1A1CYP1B1
SCHEMBL4710036 0.94 ACACB (0.33) ACACBACACA
SCHEMBL4822853 0.84 PDK2 (0.33)
SCHEMBL4708596 0.82 ACACA (0.36) ACACBACACA
SCHEMBL4276308 0.81 ACACB (0.43) ACACBACACANR1H4CYP1A1CYP1B1
SCHEMBL4708996 0.80 ACACA (0.35) ACACBACACA
SCHEMBL4759663 0.79 TTK (0.37) ACACBACACA
SCHEMBL502156 0.79 ACACB (0.59) ACACBACACA
SCHEMBL1570410 0.78 DYRK1A (0.36)
SCHEMBL1444711 0.78 ACACB (0.51) ACACBACACACYP1A1CYP1B1

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-9593155-B2 Oxyntomodulin analogs MERCK SHARP & DOHME CORP. (US) 2017-03-14 US disclosed
US-9540364-B2 Benzimidazole tetrahydrofuran derivatives MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-20150307580-A1 OXYNTOMODULIN ANALOGS MERCK SHARP & DOHME (US) 2015-10-29 US disclosed
US-20150218149-A1 NOVEL BENZIMIDAZOLE TETRAHYDROFURAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
EP-2838906-A1 FUSED AROMATIC PHOSPHONATE DERIVATIVES AS PRECURSORS TO PTP-1B INHIBITORS Kaneq Pharma Inc. (CA) 2015-02-25 EP disclosed
EP-2680851-A2 FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-01-08 EP disclosed
WO-2013155600-A1 FUSED AROMATIC PHOSPHONATE DERIVATIVES AS PRECURSORS TO PTP-1B INHIBITORS KANEQ PHARMA (CA) 2013-10-24 WO disclosed
WO-2012118945-A2 FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-09-07 WO disclosed
EP-2480082-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES Merck Sharp & Dohme Corp. (US) 2012-08-01 EP disclosed
EP-2473047-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck Sharp & Dohme Corp. (US) 2012-07-11 EP disclosed
WO-2011037793-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. (US) 2011-03-31 WO disclosed
WO-2011028455-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2011-03-10 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-20150307580-A1 OXYNTOMODULIN ANALOGS GLP1R, GCGR, GIPR ACACB 2712/4885ACACA 1982/4885NR1H4 791/4885
US-20150218149-A1 NOVEL BENZIMIDAZOLE TETRAHYDROFURAN DERIVATIVES PRKAG2, AK2, PRKAB2 ACACB 20/4885ACACA 52/4885NR1H4 1395/4885

“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.