SCHEMBL5097467

SCHEMBL5097467

O=C(Nc1ccncc1)C(CS)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.57
ACE P12821 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
ECE1 P42892 1/20 0.57
BLM P54132 1/20 0.57
NPEPPS P55786 1/20 0.57
KMT2A Q03164 1/20 0.57
CPA3 P15088 1/20 0.55
FOLH1 Q04609 1/20 0.55

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
SCHEMBL7271417 0.90 MME (0.65) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724784 0.85 PKM (0.62) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9396607 0.84 CPA3 (0.43) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724811 0.84 MME (0.65) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724992 0.83 MME (0.57) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724827 0.83 MEN1 (0.59) MMEACEALDH1A1HPGDMAPK1
SCHEMBL390864 0.83 MME (0.57) MMEACEALDH1A1HPGDMAPK1
SCHEMBL6167389 0.82 ECE1 (0.51) MMEACEALDH1A1HPGDMAPK1
SCHEMBL6169635 0.82 MME (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL10800305 0.82 ALDH1A1 (0.67) 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 10 patents. 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
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-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-20200306195-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) 2020-10-01 US disclosed
US-7427498-B2 Composition, methods and reagents for the synthesis of a soluble form of human PHEX UNIVERSITE DE MONTREAL (CA) 2008-09-23 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-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
WO-1994021242-A1 METHODS FOR THE TREATMENT OF OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY (US) 1994-09-29 WO disclosed
US-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 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 (2 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 MME 353/4885ACE 1864/4885ALDH1A1 4361/4885
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 MME 1/4885ACE 4/4885ALDH1A1 3055/4885

“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.