SCHEMBL5387901

SCHEMBL5387901

N[C@H]1CCSc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
NPC1 O15118 2/20 0.42
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.38

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
SCHEMBL1265766 1.00 USP2 (0.45) USP2NPC1ALPLALPIMEN1
SCHEMBL5255020 1.00 USP2 (0.45) USP2NPC1ALPLALPIMEN1
Hydrochloric Acid SCHEMBL1003531 0.98 USP2 (0.44) USP2NPC1ALPLALPIMEN1
SCHEMBL1913754 0.88 HCRTR1 (0.44) USP2NPC1ALPLALPIMEN1
SCHEMBL8144693 0.78 HTR2A (0.41) USP2NPC1MEN1KMT2APOLB
SCHEMBL24075123 0.75 USP2 (0.45) USP2NPC1ALPLALPIMEN1
SCHEMBL10373039 0.75 USP2 (0.45) USP2NPC1ALPLALPIMEN1
SCHEMBL12657420 0.75 NPC1 (0.45) USP2NPC1ALPLALPIMEN1
SCHEMBL7556064 0.75 USP2 (0.45) USP2NPC1ALPLALPIMEN1
SCHEMBL12651544 0.75 USP2 (0.45) USP2NPC1ALPLALPIMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
US-7094909-B2 Reacting an amide compound containing hydroxy and a carboxyl group and having benzene ring, with a halogenated alkyl aminocarbonyl-pyrrolidine with 2-fluoro groups substituted at the ring carbon, by amindation of amine and carboxyl group AGOURON PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20050027007-A1 Allylamides useful in the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2005-02-03 US disclosed
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2004-10-14 US disclosed
EP-1409466-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
EP-0541168-B1 HIV protease inhibitors useful for the treatment of aids MERCK & CO INC (US) 1998-03-11 EP disclosed
US-5717097-A N-(2(R)-HYDROXY-1(S)-INDANYL)-2(R)-PHENYLMETHYL-4(S)-(HYDROXY) -5-SUBSTITUTED-N'-(T-BUTYLCARBAMOYL)PIPERAZINYL))PENTANEAMIDE COMPOUNDS MERCK & CO., INC. (US) 1998-02-10 US disclosed
US-5668132-A HIV Protease inhibitors useful for the treatment of AIDS MERCK & CO., INC. (US) 1997-09-16 US disclosed
US-5527799-A ADMINISTERING MIXTURE OF TWO COMPOUNDS AND OPTIONAL AZT MERCK & CO., INC. (US) 1996-06-18 US disclosed
EP-0696277-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO. INC. (US) 1996-02-14 EP disclosed
US-5413999-A structure is piperazine containing amides MERCK & CO., INC. (US) 1995-05-09 US disclosed
WO-1994026717-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1994-11-24 WO disclosed
WO-1994022480-A1 HIV PROTEASE INHIBITORS IN PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1994-10-13 WO disclosed
EP-0617968-A1 HIV protease inhibitors in pharmaceutical combinant for the treatment of AIDS MERCK & CO. INC. (US) 1994-10-05 EP disclosed
WO-1993009096-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1993-05-13 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 (3 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-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP USP2 1237/4885NPC1 827/4885ALPL 584/4885
US-20050027007-A1 Allylamides useful in the treatment of alzheimer's disease BACE1, BACE2, APBA1 USP2 2307/4885NPC1 143/4885ALPL 3415/4885
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis FURIN, PREP, PRSS1 USP2 2104/4885NPC1 178/4885ALPL 376/4885

“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.