SCHEMBL2680002

SCHEMBL2680002

O=C(NN1CCOCC1)C(CS)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.55
FOLH1 Q04609 1/20 0.55
MME P08473 8/20 0.53
ACE P12821 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
ECE1 P42892 1/20 0.53
BLM P54132 1/20 0.53
NPEPPS P55786 1/20 0.53
KMT2A Q03164 1/20 0.53
MMP8 P22894 1/20 0.50

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
SCHEMBL9396607 0.88 CPA3 (0.43) CPA3FOLH1MMEACEALDH1A1
SCHEMBL7367991 0.88 MME (0.57) CPA3FOLH1MMEACEALDH1A1
SCHEMBL7368451 0.86 MME (0.56) CPA3FOLH1MMEACEALDH1A1
SCHEMBL28006830 0.85 MMP8 (0.48) CPA3FOLH1ALDH1A1MEN1KMT2A
SCHEMBL7370831 0.82 CYP1A2 (0.52) MMEACEALDH1A1MEN1KMT2A
SCHEMBL7287463 0.80 MMP8 (0.51) ALDH1A1MEN1MAPTKMT2AMMP8
SCHEMBL7288147 0.80 CPA1 (0.53) CPA3FOLH1MMEALDH1A1MEN1
SCHEMBL27563063 0.79 MMP8 (0.50) ALDH1A1MEN1KMT2AMMP8
SCHEMBL27563062 0.79 MMP8 (0.50) ALDH1A1MEN1KMT2AMMP8
SCHEMBL9396610 0.78 MME (0.39) MMEACEALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5403824-A Administering a opioid, opioid-degrading enzyme inhibitor or enkephalin secretagogues or mixtures thereof; side effect reduction THE PROCTER & GAMBLE COMPANY (US) 1995-04-04 US claimed
WO-1994021242-A1 METHODS FOR THE TREATMENT OF OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY (US) 1994-09-29 WO claimed
EP-0280627-B1 DERIVATIVES OF N-SUBSTITUTED ALPHA-MERCAPTOMETHYL-BENZENE-PROPANAMIDE, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-21 EP claimed
US-4839358-A ANALGESICS, ANTIDEPRESSANTS, ANTIANXIETY AGENTS ROUSSEL UCLAF (FR) 1989-06-13 US claimed
US-12351561-B2 Crystalline (2S,4R)-5-(5'-chloro-2'-fluoro-[1,1'-biphenyl]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2-methylpentanoic acid and uses thereof THERAVANCE BIOPHARMA R&D IP, LLC (US) 2025-07-08 US disclosed
US-20240327360-A1 CRYSTALLINE (2S,4R)-5-(5'-CHLORO-2'-FLUORO-[1,1'-BIPHENYL]-4-YL)-2-(ETHOXYMETHYL)-4-(3-HYDROXYISOXAZOLE-5-CARBOXAMIDO)-2-METHYLPENTANOIC ACID AND USES THEREOF THERAVANCE BIOPHARMA R&D IP LLC (US) 2024-10-03 US disclosed
US-12016835-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-06-25 US disclosed
US-20240165032-A1 DRUG DELIVERY SYSTEM EB IP HYBRITABS B V (NL) 2024-05-23 US disclosed
US-11919888-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-03-05 US disclosed
US-11851443-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-12-26 US disclosed
US-20230330028-A1 PROCESS FOR THE PREPARATION OF DRUG DELIVERY SYSTEMS HAVING A TESTOSTERONE COMPOUND PRESENT IN AN OUTER LAYER OR PART, AS WELL AS SUCH DRUG DELIVERY SYSTEMS EB IP HYBRITABS B.V. (NL) 2023-10-19 US disclosed
US-20230312537-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-05 US disclosed
US-20040234518-A1 Composition, methods and reagents for the synthesis of a soluble form of human PHEX UNIVERSITE DE MONTREAL (CA) 2004-11-25 US disclosed
US-6790649-B1 PHEX GENE (PHOSPHATE REGULATING GENE WITH HOMOLOGIES TO ENDOPEPTIDASES ON X CHROMOSOME); FOR TREATMENT OF X-LINKED HYPOPHOSPHATEMIA (XLH), A PHOSPHATE HOMEOSTASIS DISORDER; RETARDATION, BONE, RENAL AND METABOLISM DISORDERS UNIVERSITE DE MONTREAL (CA) 2004-09-14 US disclosed
EP-1159412-A2 COMPOSITION, METHODS AND REAGENTS FOR THE SYNTHESIS OF A SOLUBLE FORM OF HUMAN PHEX UNIVERSITE DE MONTREAL (CA) 2001-12-05 EP disclosed
WO-2000050580-A2 COMPOSITION, METHODS AND REAGENTS FOR THE SYNTHESIS OF A SOLUBLE FORM OF HUMAN PHEX UNIVERSITE DE MONTREAL (CA) 2000-08-31 WO disclosed
US-5403824-A Administering a opioid, opioid-degrading enzyme inhibitor or enkephalin secretagogues or mixtures thereof; side effect reduction THE PROCTER & GAMBLE COMPANY (US) 1995-04-04 US disclosed
EP-0280627-B1 DERIVATIVES OF N-SUBSTITUTED ALPHA-MERCAPTOMETHYL-BENZENE-PROPANAMIDE, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-21 EP disclosed
US-4839358-A ANALGESICS, ANTIDEPRESSANTS, ANTIANXIETY AGENTS ROUSSEL UCLAF (FR) 1989-06-13 US disclosed
EP-0280627-A2 Derivatives of N-substituted alpha-mercaptomethyl-benzene-propanamide, process for their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1988-08-31 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 (7 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-20040234518-A1 Composition, methods and reagents for the synthesis of a soluble form of human PHEX TPX2, PHPT1, BMX CPA3 281/4885FOLH1 32/4885MME 353/4885
US-12351561-B2 Crystalline (2S,4R)-5-(5'-chloro-2'-fluoro-[1,1'-biphenyl]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2-methylpentanoic acid and uses thereof MME, CTSC, REN CPA3 63/4885FOLH1 346/4885MME 1/4885
US-20240327360-A1 CRYSTALLINE (2S,4R)-5-(5'-CHLORO-2'-FLUORO-[1,1'-BIPHENYL]-4-YL)-2-(ETHOXYMETHYL)-4-(3-HYDROXYISOXAZOLE-5-CARBOXAMIDO)-2-METHYLPENTANOIC ACID AND USES THEREOF MME, CTSC, REN CPA3 63/4885FOLH1 346/4885MME 1/4885
US-20230312537-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CPA3 54/4885FOLH1 992/4885MME 1/4885
US-11851443-B2 Neprilysin inhibitors MME, REN, ACE CPA3 89/4885FOLH1 1095/4885MME 1/4885
US-12016835-B2 Neprilysin inhibitors MME, REN, ACE CPA3 71/4885FOLH1 977/4885MME 1/4885
US-11919888-B2 Neprilysin inhibitors MME, REN, ACE CPA3 54/4885FOLH1 992/4885MME 1/4885

“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.