SCHEMBL2585787

SCHEMBL2585787

N[C@@H](CO)CC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
METAP1 P53582 1/20 0.38
ALOX5 P09917 1/20 0.38
METAP2 P50579 1/20 0.37
ANPEP P15144 3/20 0.37
ENPEP Q07075 2/20 0.37
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35

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
SCHEMBL82667 1.00 DPP4 (0.42) DPP4METAP1ALOX5METAP2ANPEP
SCHEMBL2859771 1.00 DPP4 (0.42) DPP4METAP1ALOX5METAP2ANPEP
Hydrochloric Acid SCHEMBL8815090 0.98 DPP4 (0.41) DPP4METAP1ALOX5METAP2ANPEP
Hydrochloric Acid SCHEMBL629206 0.98 DPP4 (0.41) DPP4METAP1ALOX5METAP2ANPEP
Hydrochloric Acid SCHEMBL629207 0.98 DPP4 (0.41) DPP4METAP1ALOX5METAP2ANPEP
SCHEMBL24324140 0.98 DPP4 (0.41) DPP4METAP1ALOX5METAP2ANPEP
SCHEMBL24323716 0.98 DPP4 (0.41) DPP4METAP1ALOX5METAP2ANPEP
SCHEMBL24324582 0.93
SCHEMBL14889552 0.93
SCHEMBL3322576 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
EP-4225446-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-1732931-B1 METHODS FOR THE PREPARATION OF (3R,3aS,6aR) HEXAHYDRO-FURO[2,3-b]FURAN-3-OL JANSSEN SCIENCES IRELAND UC (IE) 2016-05-18 EP disclosed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 US disclosed
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 EP disclosed
EP-0641333-B1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1996-08-14 EP disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
EP-0656887-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP disclosed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 WO disclosed
EP-0641333-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-03-08 EP disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO disclosed
WO-1993023388-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 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-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B DPP4 1701/4885METAP1 1153/4885ALOX5 3189/4885

“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.