SCHEMBL5230909

SCHEMBL5230909

O=C(N[C@@H](CSc1ccc2ccccc2c1)C(=O)CCl)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.52
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CA2 P00918 1/20 0.48
TGM2 P21980 1/20 0.45
PPARA Q07869 3/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
PPARG P37231 1/20 0.43
MMP13 P45452 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5226937 0.89 PPARA (0.55) CASP1CTSLCTSBCTSSCA2
SCHEMBL5227527 0.89 CA2 (0.58) CASP1CTSLCTSBCTSSCA2
SCHEMBL7495758 0.89 CA2 (0.58) CASP1CTSLCTSBCTSSCA2
SCHEMBL7495766 0.89 CA2 (0.58) CASP1CTSLCTSBCTSSCA2
SCHEMBL5228626 0.86 CA2 (0.56) CASP1CTSLCTSBCTSSCA2
SCHEMBL8645946 0.82 CTSL (0.45) CASP1CTSLCTSBCTSSCA2
SCHEMBL7282041 0.82 CTSL (0.45) CASP1CTSLCTSBCTSSCA2
SCHEMBL6629350 0.82 CTSL (0.45) CASP1CTSLCTSBCTSSCA2
SCHEMBL4980616 0.77 TACR1 (0.62) CTSLCTSBCTSSALDH1A1CTSK
SCHEMBL6439753 0.77 TACR1 (0.62) CTSLCTSBCTSSALDH1A1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 EP disclosed
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 EP disclosed
US-6693199-B2 DEPROTECTING CARBAMATE GROUP AND AMIDATING IN PRESENCE OF SUCH AS HYDROXYBENZOTRIAZOLE HYDRATE PROMOTER AGOURON PHARMACEUTICALS, INC. 2004-02-17 US disclosed
US-20030216569-A1 Method of making HIV protease inhibitors DRESSMAN BRUCE A (US) 2003-11-20 US disclosed
EP-1340744-A2 Hiv protease inhibitors Agouron Pharmaceuticals, Inc. (US) 2003-09-03 EP disclosed
US-6525215-B2 As antiviral agents suitable for therapy of patients or hosts infected with the HIV virus, which is known to cause AIDS AGOURON PHARMACEUTICALS, INC. 2003-02-25 US disclosed
EP-0722439-B1 HIV PROTEASE INHIBITORS AGOURON PHARMA (US) 2002-08-14 EP disclosed
US-20020077338-A1 HIV protease inhibitors DRESSMAN BRUCE A (US) 2002-06-20 US disclosed
US-6271235-B1 VIRICIDE AGOURON PHARMACEUTICALS, INC. 2001-08-07 US disclosed
US-6162812-A Pharmaceutical compositions containing HIV protease inhibitors and methods of their use AGOURON PHARMACEUTICALS, INC. (US) 2000-12-19 US disclosed
US-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 US disclosed
US-5733906-A Inhibitors of HIV Protease useful for the treatment of Aids ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed
EP-0741719-A4 INTERMEDIATE AND PROCESS FOR MAKING LILLY CO ELI (US) 1997-04-02 EP disclosed
EP-0741719-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
US-5527829-A VIRICIDES; TREATING AIDS AGOURON PHARMACEUTICALS, INC. (US) 1996-06-18 US disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
US-5461154-A HIV protease inhibitors ELI LILLY AND COMPANY (US) 1995-10-24 US disclosed
WO-1995021164-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1995-08-10 WO disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 WO disclosed
EP-0604185-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 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 (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-20020077338-A1 HIV protease inhibitors PREP, PRSS1, SERPINB1 CASP1 187/4885CTSL 29/4885CTSB 14/4885
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP CASP1 80/4885CTSL 37/4885CTSB 21/4885

“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.