SCHEMBL6580781

SCHEMBL6580781

N[C@@H](Cc1ccccc1)[C@H](O)[C]=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.51
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
EPHX1 P07099 1/20 0.48
LAP3 P28838 5/20 0.47
ANPEP P15144 2/20 0.47
CSNK1E P49674 1/20 0.46
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
SLC6A2 P23975 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2A6 P11509 1/20 0.45

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
SCHEMBL11025286 1.00 SLC15A1 (0.51) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6243841 1.00 SLC15A1 (0.51) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL8690443 0.81 EPHX1 (0.48) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL11412673 0.81 EPHX1 (0.48) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL9675556 0.79 CSNK1E (0.53) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6730587 0.78 SLC6A4 (0.54) ANPEPTAAR1SLC6A4CYP1A2
SCHEMBL9740410 0.77 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7190709 0.77 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6446370 0.77 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL22431194 0.77 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751145-B1 HIV-protease inhibitors JAPAN ENERGY CORP (JP) 2004-05-06 EP disclosed
US-6673772-B2 INHIBITING THE ENZYMATIC ACTIVITY OF HIV PROTEASE SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-01-06 US disclosed
US-6440946-B1 ANTI-HIV ACTIVITY IMPROVED IN ABSORPTION WHEN ORALLY ADMINISTERED, STABILITY, PHYSICOCHEMICAL PROPERTIES, REDUCED SIDE EFFECTS; HIV REVERSE TRANSCRIPTASE INHIBITOR, HIV PROTEASE INHIBITOR OR CCR5 ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-27 US disclosed
US-20020049165-A1 Novel dipeptide compounds and their use as medicines DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2002-04-25 US disclosed
EP-1157997-A1 NOVEL DIPEPTIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2001-11-28 EP disclosed
US-6291432-B1 (R)-N-(2-METHYLBENZYL)-3-((2S, 3S)-3-(N-(2-CHROMONECARBONYL)-L-ASPARAGINYL)AMINO-2-HYDROXY-4-PHENYLBUTANO YL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE CAN BE GIVEN AS A TYPICAL EXAMPLE OF THIS COMPOUND. JAPAN ENERGY CORPORATION (JP) 2001-09-18 US disclosed
US-6222043-B1 COUPLING 2-AMIDO-THIAZOLE DERIVATIVE WITH 2-PHENYL4-(PROTECTED)AMINO-BUTYRIC ACID; DEPROTECTING AMINO PROTECTING GROUP; ACYLATING PRODUCT WITH CARBOXYLIC ACID CONTAINING CARBOCYCLIC OR HETEROCYCLIC GROUP; DEPROTECTING JAPAN ENERGY CORPORATION (JP) 2001-04-24 US disclosed
US-5962640-A MAKING A DIPEPTIDE COMPOUND OF GIVEN FORMULA COMPRISING A ALPHA-AMINOCARBOXAMIDE INCLUDING CYCLIC GROUP LINKED TO 3-AMINO-2-HYDROXY-4-PHENYLBUTANOYL RESIDUE; HIV PROTEASE INHIBITION AND EXCELLENT BIOAVAILABILITY FROM DIGESTIVE TRACT JAPAN ENERGY CORPORATION (JP) 1999-10-05 US disclosed
US-5932550-A PROTEASE INHIBITOR; AIDS THERAPY JAPAN ENERGY CORPORATION (JP) 1999-08-03 US disclosed
EP-0900566-A1 NOVEL TRIPEPTIDE COMPOUNDS AND ANTI-AIDS DRUGS JAPAN ENERGY CORPORATION (JP) 1999-03-10 EP disclosed
EP-0751145-A2 HIV-protease inhibitors Japan Energy Corporation (JP) 1997-01-02 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 (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-20020049165-A1 Novel dipeptide compounds and their use as medicines DNPEP, PEPD, ANPEP SLC15A1 659/4885ALPI 2762/4885PKM 2013/4885

“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.