SCHEMBL5045237

SCHEMBL5045237

NC(CC(=O)O)c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.50
ITGB3 P05106 3/20 0.49
ITGA2B P08514 1/20 0.49
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.46
TPH1 P17752 1/20 0.44
CFTR P13569 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDR P35968 1/20 0.43
PDE4D Q08499 1/20 0.43
ITGAV P06756 2/20 0.43
ACP1 P24666 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 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
SCHEMBL7229467 1.00 MGAM (0.50) MGAMITGB3ITGA2BRAB9ASMN1; SMN2
SCHEMBL5045228 1.00 MGAM (0.50) MGAMITGB3ITGA2BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6106793 0.99 MGAM (0.49) MGAMITGB3ITGA2BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6106794 0.99 MGAM (0.49) MGAMITGB3ITGA2BRAB9ASMN1; SMN2
SCHEMBL5857685 0.85 MGAM (0.53) MGAMITGB3ITGA2BRAB9ASMN1; SMN2
SCHEMBL5041314 0.83 KDM4E (0.49) MGAMITGB3ITGA2BRAB9ASMN1; SMN2
SCHEMBL13344628 0.83 KDM4E (0.49) MGAMITGB3ITGA2BRAB9ASMN1; SMN2
SCHEMBL20157741 0.82 KDM4E (0.49) MGAMRAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL29511481 0.82 KDM4E (0.49) MGAMRAB9ASMN1; SMN2KMT2ACYP1A2
Hydrochloric Acid SCHEMBL6506600 0.82 KDM4E (0.48) MGAMITGB3ITGA2BRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US claimed
JP-2004536071-A 2004-12-02 JP claimed
EP-1397136-A1 HETEROCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-03-17 EP claimed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 US claimed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 WO claimed
EP-3538526-B1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-04-10 EP disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
CN-110139864-B Pyrrole amides as alpha V integrin inhibitors 百时美施贵宝公司 2022-08-23 CN disclosed
CN-110167934-B Cyclobutane-and azetidine-containing monocyclic and spiro compounds as alpha V integrin inhibitors 百时美施贵宝公司 2022-06-10 CN disclosed
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-05 US disclosed
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
EP-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP disclosed
US-6069254-A Carboxamide derivatives of piperidine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORP. (US) 2000-05-30 US disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US disclosed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
EP-0923555-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-06-23 EP disclosed
WO-1997041102-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-06 WO disclosed
WO-1990002112-A1 SUBSTITUTED ARYL UREAS AS HIGH POTENCY SWEETENERS THE NUTRASWEET COMPANY (US) 1990-03-08 WO disclosed
EP-0355819-A1 Substituted aryl ureas as high potency sweeteners THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1990-02-28 EP 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 (5 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 MGAM 4171/4885ITGB3 4336/4885ITGA2B 4460/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 MGAM 3925/4885ITGB3 3768/4885ITGA2B 3866/4885
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 MGAM 4271/4885ITGB3 11/4885ITGA2B 8/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 MGAM 3523/4885ITGB3 7/4885ITGA2B 5/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 MGAM 2961/4885ITGB3 6/4885ITGA2B 5/4885

“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.