SCHEMBL3923738

SCHEMBL3923738

CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 7/20 0.58
MEN1 O00255 5/20 0.58
TSHR P16473 1/20 0.54
GAA P10253 1/20 0.51
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL3756242 0.88 ALDH1A1 (0.55) LMNAALDH1A1KMT2AMEN1TSHR
SCHEMBL10989857 0.87 LMNA (0.57) LMNAALDH1A1KMT2AMEN1TSHR
SCHEMBL13543275 0.84 ALDH1A1 (0.55) LMNAALDH1A1KMT2AMEN1GAA
SCHEMBL3920308 0.83 LMNA (0.68) LMNAALDH1A1KMT2AMEN1TSHR
SCHEMBL10984175 0.82 NPSR1 (0.48) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL13543499 0.82 CYP3A4 (0.52) LMNAALDH1A1KMT2AGAANPSR1
SCHEMBL4717296 0.82 LMNA (0.51) LMNAALDH1A1KMT2AMEN1TSHR
SCHEMBL10989432 0.81 ATM (0.67) LMNAALDH1A1KMT2AMEN1TSHR
SCHEMBL16000121 0.80 ALDH1A1 (0.69) LMNAALDH1A1KMT2A
SCHEMBL9796338 0.80 NPSR1 (0.49) ALDH1A1KMT2AMEN1TSHRPOLB

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
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US disclosed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 US disclosed
US-7452992-B2 inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole SMITHKLINE BEECHAM CORPORATION (US) 2008-11-18 US disclosed
EP-1663232-A1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
US-20060052595-A1 Heterocyclic compounds as ccr5 antagonists SMITHKLINE BEECHAM CORPORATION 2006-03-09 US disclosed
EP-1569931-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US disclosed
WO-2005023260-A1 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
WO-2005023260-A1 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
WO-2004055011-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
US-4505913-A Substituted anthranilamides and pharmaceutical preparations containing these compounds CIBA-GEIGY CORPORATION (US) 1985-03-19 US disclosed
EP-0008072-B1 SUBSTITUTED ANTHRANILIC ACID AMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1984-02-22 EP disclosed
EP-0008072-A1 Substituted anthranilic acid amides, process for their preparation, pharmaceutical compositions containing them and their preparation CIBA-GEIGY AG (CH) 1980-02-20 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 (4 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-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 LMNA 4259/4885ALDH1A1 2775/4885KMT2A 4579/4885
US-20060052595-A1 Heterocyclic compounds as ccr5 antagonists CCR5, CXCR3, CCR1 LMNA 4259/4885ALDH1A1 2775/4885KMT2A 4579/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT LMNA 4692/4885ALDH1A1 582/4885KMT2A 456/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT LMNA 4692/4885ALDH1A1 582/4885KMT2A 456/4885

“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.