SCHEMBL3811926

SCHEMBL3811926

CN(C)CCCCN=C=S

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.54
TRPA1 O75762 8/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MIF P14174 4/20 0.48
BACH1 O14867 2/20 0.47
MAFK O60675 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
EGFR P00533 1/20 0.47
PTGS2 P35354 1/20 0.47
TSHR P16473 1/20 0.46
GSK3B P49841 1/20 0.45

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
SCHEMBL4859085 0.98 NAAA (0.58) NAAATRPA1MAOAMAOBCYP1A2
SCHEMBL14268360 0.98 NAAA (0.58) NAAATRPA1MAOAMAOBCYP1A2
SCHEMBL14268358 0.98 NAAA (0.58) NAAATRPA1MAOAMAOBCYP1A2
SCHEMBL1267765 0.93
SCHEMBL1268079 0.82
SCHEMBL484045 0.79 MIF (0.68) NAAATRPA1MIFBACH1MAFK
SCHEMBL3095991 0.76 CYP1A2 (0.48) MAOAMAOBCYP1A2CYP2D6ALDH1A1
SCHEMBL1233523 0.76 NAAA (0.74) NAAATRPA1MIFBACH1MAFK
SCHEMBL2149597 0.76 NAAA (0.74) NAAATRPA1MIFBACH1MAFK
SCHEMBL7133119 0.76 NAAA (0.74) NAAATRPA1MIFBACH1MAFK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed
CN-100462359-C 5-sulfanyl-4H-1,2,4-triazole derivatives and their use as a medicament SOD CONSEILS RECH APPLIC (FR) 2009-02-18 CN disclosed
US-7332517-B2 Derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments Société de Conseils de Recheres et d'Applications Scientifiques (SCRAS) (FR) 2008-02-19 US disclosed
US-7199145-B2 Derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D' 'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2007-04-03 US disclosed
US-20050154039-A1 5-Sulphanyl-4h-1,2,4-triazole derivatives and their use as medicine IPSEN PHARMA S.A.S. (FR) 2005-07-14 US disclosed
CN-1617859-A 5-sulfanyl-4H-1, 2, 4-triazole derivatives and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2005-05-18 CN disclosed
EP-1465880-A1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-10-13 EP disclosed
WO-2003045926-A1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHE ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-06-05 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 (1 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-20050154039-A1 5-Sulphanyl-4h-1,2,4-triazole derivatives and their use as medicine SSTR3, SSTR1, SSTR5 NAAA 4523/4885TRPA1 963/4885MAOA 3246/4885

“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.