SCHEMBL5227771

SCHEMBL5227771

COC(=O)c1cccc(NS(C)(=O)=O)c1C

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.68
LMNA P02545 2/20 0.64
ALDH1A1 P00352 3/20 0.63
TSHR P16473 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.60
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
KDM4E B2RXH2 5/20 0.55
HSD17B10 Q99714 3/20 0.55
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
MAPK10 P53779 1/20 0.53
NR3C1 P04150 2/20 0.51
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.49
ATM Q13315 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
SCHEMBL647703 0.85 TSHR (0.82) LMNAALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL5226243 0.83 KEAP1 (0.61) FFAR4LMNAALDH1A1SMN1; SMN2KEAP1
SCHEMBL3527090 0.83 TSHR (0.61) FFAR4LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL530858 0.82 KEAP1 (0.59) FFAR4LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL20408717 0.81 FFAR4 (0.60) FFAR4LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL14575778 0.80 TSHR (0.56) FFAR4LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL2424998 0.80 KDM4E (0.70) FFAR4LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL3511612 0.78 LMNA (0.59) FFAR4LMNAALDH1A1TSHRKDM4E
SCHEMBL27530848 0.78 KDM4E (0.56) FFAR4LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL28643816 0.78 KDM4E (0.62) FFAR4LMNAALDH1A1TSHRSMN1; SMN2

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 28 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
US-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US 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-5827859-A ADMINISTERED TO TREAT AIDS; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827891-A FOR TREATMENT OF AIDS, BLOCKING REPLICATION OF HIV VIRUS 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 (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-20020077338-A1 HIV protease inhibitors PREP, PRSS1, SERPINB1 FFAR4 4316/4885LMNA 2836/4885ALDH1A1 3232/4885
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP FFAR4 4641/4885LMNA 1896/4885ALDH1A1 1046/4885
US-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 FFAR4 4285/4885LMNA 1480/4885ALDH1A1 4018/4885

“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.