SCHEMBL5226243

SCHEMBL5226243

Cc1c(NS(C)(=O)=O)cccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HSD17B10 Q99714 4/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
NR3C1 P04150 2/20 0.50
MEN1 O00255 2/20 0.50
MCL1 Q07820 1/20 0.50
MMP2 P08253 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PGR P06401 1/20 0.49

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
SCHEMBL13823614 0.86 KMT2A (0.57) KEAP1NFE2L2KMT2AKDM4EHSD17B10
SCHEMBL530858 0.85 KEAP1 (0.59) KEAP1NFE2L2KMT2AKDM4EHSD17B10
SCHEMBL220059 0.84 KMT2A (0.72) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5227771 0.83 FFAR4 (0.68) KEAP1NFE2L2KMT2AKDM4EHSD17B10
SCHEMBL27396813 0.83 KMT2A (0.57) KEAP1NFE2L2KMT2AKDM4EHSD17B10
SCHEMBL20399271 0.81 KMT2A (0.55) KEAP1NFE2L2KMT2AKDM4EHSD17B10
SCHEMBL3529403 0.81 KMT2A (0.55) KEAP1NFE2L2KMT2AKDM4EHSD17B10
SCHEMBL20399218 0.80 KCNA5 (0.53) KMT2AKDM4ENPC1RAB9AHSD17B10
Fluoride SCHEMBL28179115 0.80 TSHR (0.50) KMT2AKDM4ENPC1RAB9AHSD17B10
SCHEMBL1835415 0.79 KMT2A (0.66) KMT2AKDM4EHSD17B10ALDH1A1HPGD

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 26 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
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-5859002-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1999-01-12 US disclosed
US-5827859-A ADMINISTERED TO TREAT AIDS; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827858-A ADMINISTERED TO TREAT AIDS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 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
EP-0722439-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-07-24 EP 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

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 KEAP1 3110/4885NFE2L2 4247/4885KMT2A 2618/4885
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP KEAP1 2755/4885NFE2L2 4236/4885KMT2A 3599/4885

“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.