SCHEMBL2881677

SCHEMBL2881677

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TFPI P10646 1/20 0.61
GLP1R P43220 5/20 0.57
ECE1 P42892 1/20 0.57
MUS81 Q96NY9 1/20 0.57
VIPR1 P32241 2/20 0.56
KISS1R Q969F8 2/20 0.54
IL23R Q5VWK5 2/20 0.53
VIPR2 P41587 2/20 0.53
PTH1R Q03431 1/20 0.53

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
SCHEMBL16015184 1.00 TFPI (0.61) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL13324659 1.00 TFPI (0.61) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL15043899 1.00 TFPI (0.61) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL12359225 1.00 TFPI (0.61) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL13342836 1.00 TFPI (0.61) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL13912288 1.00 TFPI (0.61) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL15629783 0.98 TFPI (0.60) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL16329662 0.97 TFPI (0.61) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL13906498 0.96 TFPI (0.58) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL29470903 0.96 TFPI (0.64) TFPIGLP1RECE1MUS81VIPR1

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 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 US disclosed
US-9133181-B2 Substituted 6-(4-hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine derivatives as kinase inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-20150133432-A1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2015-05-14 US disclosed
US-9029400-B2 5-oxoisoxazoles as inhibitors of lipases and phospholipases SANOFI (FR) 2015-05-12 US disclosed
US-9029400-B2 5-oxoisoxazoles as inhibitors of lipases and phospholipases SANOFI (FR) 2015-05-12 US disclosed
US-8946212-B2 Annelated N-heterocyclic sulfonamides with oxadiazolone headgroup, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2015-02-03 US disclosed
US-8871758-B2 Tetrasubstituted oxathiazine derivatives, method for producing them, their use as medicine and drug containing said derivatives and the use thereof SANOFI (FR) 2014-10-28 US disclosed
US-8859494-B2 Spirocyclically substituted 1,3-propane dioxide derivatives, processes for preparation thereof and use thereof as a medicament SANOFI (FR) 2014-10-14 US disclosed
US-8846666-B2 Oxathiazine derivatives which are substituted with benzyl or heteromethylene groups, method for producing them, their use as medicine and drug containing said derivatives and the use thereof SANOFI (FR) 2014-09-30 US disclosed
US-8841290-B2 Substituted tetrahydronaphthalenes, method for the production thereof, and use thereof as drugs SANOFI (FR) 2014-09-23 US disclosed
US-20080287409-A1 PHENYL AND PYRIDINYL-1,2,4-OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
US-20080287409-A1 PHENYL AND PYRIDINYL-1,2,4-OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
US-20080287503-A1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
US-20080287503-A1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080261979-A1 Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080261979-A1 Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals SANOFI-AVENTIS (FR) 2008-10-23 US 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 (6 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-20150133432-A1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS MAP3K1, MAP3K6, MAP3K19 TFPI 690/4885GLP1R 246/4885ECE1 918/4885
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF PPARD, GPR119, PPARG TFPI 1273/4885GLP1R 31/4885ECE1 3173/4885
US-20080261979-A1 Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals PPARD, PPARA, PPARG TFPI 1672/4885GLP1R 24/4885ECE1 1749/4885
US-20080287503-A1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES PNLIP, PLAAT2, CEL TFPI 454/4885GLP1R 1787/4885ECE1 605/4885
US-20080287409-A1 PHENYL AND PYRIDINYL-1,2,4-OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS PPARD, PPARA, PPARG TFPI 999/4885GLP1R 110/4885ECE1 3325/4885
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof GPR119, CPT1A, PC TFPI 1780/4885GLP1R 52/4885ECE1 2927/4885

“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.