SCHEMBL3919280

SCHEMBL3919280

CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
LMNA P02545 2/20 0.68
NPC1 O15118 1/20 0.67
GAA P10253 1/20 0.66
KMT2A Q03164 6/20 0.57
MEN1 O00255 3/20 0.57
VCAM1 P19320 1/20 0.54
TSHR P16473 2/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL8609212 0.87 SMN1; SMN2 (0.57) SMN1; SMN2LMNANPC1GAAKMT2A
SCHEMBL11181362 0.87 SMN1; SMN2 (0.70) SMN1; SMN2LMNANPC1GAAKMT2A
SCHEMBL11189035 0.87 SMN1; SMN2 (0.70) SMN1; SMN2LMNANPC1GAAKMT2A
SCHEMBL11819805 0.84 LMNA (0.64) SMN1; SMN2LMNANPC1GAAKMT2A
SCHEMBL3920974 0.83 GAA (0.87) SMN1; SMN2LMNANPC1GAAKMT2A
SCHEMBL7335509 0.83 ALDH1A1 (0.72) SMN1; SMN2LMNAGAAKMT2AMEN1
SCHEMBL11179939 0.81 NPC1 (0.64) SMN1; SMN2LMNANPC1GAAKMT2A
SCHEMBL10961752 0.81 NPC1 (0.64) SMN1; SMN2LMNANPC1GAAKMT2A
SCHEMBL34850 0.81 SMN1; SMN2 (0.51) SMN1; SMN2LMNANPC1GAAKMT2A
SCHEMBL394260 0.81 LMNA (0.69) SMN1; SMN2LMNANPC1GAAKMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US disclosed
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
EP-1615904-B1 SUBSTITUTED BENZOSULPHONAMIDES AS POTENTIATORS OF GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2008-02-27 EP disclosed
EP-1663232-B1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
US-20070021606-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2007-01-25 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-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
EP-0023964-B1 PHENYLIMINOTHIAZOLINE DERIVATIVES, THEIR PREPARATION AND INTERMEDIATES THEREFOR, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR PRODUCTION HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 EP disclosed
EP-0023964-A1 Phenyliminothiazoline derivatives, their preparation and intermediates therefor, pharmaceutical preparations containing them and their production HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-18 EP disclosed
US-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 US 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 SMN1; SMN2 1564/4885LMNA 1202/4885NPC1 248/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT SMN1; SMN2 227/4885LMNA 4692/4885NPC1 780/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT SMN1; SMN2 227/4885LMNA 4692/4885NPC1 780/4885
US-20070021606-A1 Therapeutic compounds GRIN1, GRIN3A, GRM2 SMN1; SMN2 2089/4885LMNA 4722/4885NPC1 740/4885

“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.