SCHEMBL30135566

SCHEMBL30135566

Cc1ccc(S(=O)(=O)O)cc1.N#CC1CCCN1C(=O)CN

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.55
DPP8 Q6V1X1 4/20 0.55
DPP9 Q86TI2 3/20 0.55
FAP Q12884 2/20 0.55
DPP7 Q9UHL4 1/20 0.55
PREP P48147 5/20 0.51

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
SCHEMBL15129601 1.00 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL15129602 1.00 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL25386940 1.00 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL15129726 0.83 DPP4 (0.68) DPP4DPP8DPP9FAPDPP7
SCHEMBL15129725 0.83 DPP4 (0.68) DPP4DPP8DPP9FAPDPP7
SCHEMBL15129935 0.82 DPP4 (0.68) DPP4DPP8DPP9FAPDPP7
SCHEMBL15129937 0.82 DPP4 (0.68) DPP4DPP8DPP9FAPDPP7
SCHEMBL354762 0.81 PREP (0.69) DPP4DPP8DPP9DPP7PREP
SCHEMBL6256625 0.81 PREP (0.69) DPP4DPP8DPP9DPP7PREP
SCHEMBL21056857 0.80 PREP (0.53) DPP4DPP8DPP9FAPDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373529-A1 FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2024-05-29 EP disclosed
WO-2023002045-A1 FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2023-01-26 WO disclosed