SCHEMBL6384757

SCHEMBL6384757

CC(CCCN=C=S)CN=C=S

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.50
NAAA Q02083 1/20 0.45
MIF P14174 6/20 0.40
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
BACH1 O14867 2/20 0.39
MAFK O60675 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
EGFR P00533 1/20 0.39
PTGS2 P35354 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL6049825 0.83 TRPA1 (0.50) TRPA1NAAAMIF
SCHEMBL28727094 0.81 NAAA (0.48) TRPA1NAAAMIFLMNATP53
SCHEMBL1021255 0.79
SCHEMBL5573221 0.76
SCHEMBL330924 0.74 MIF (0.45) TRPA1NAAAMIFKEAP1NFE2L2
SCHEMBL35780 0.74
SCHEMBL9065755 0.72
SCHEMBL3123999 0.72
SCHEMBL30102626 0.71 NAAA (0.58) TRPA1NAAAMIFKEAP1NFE2L2
SCHEMBL30102642 0.71 NAAA (0.58) TRPA1NAAAMIFKEAP1NFE2L2

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-20150344613-A1 POLYTHIOUREA COMPOSITIONS AND METHODS OF USE EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-12-03 US disclosed
EP-1512688-A1 Use of K-252a derivatives for the treatment of Parkinson's disease CEPHALON, INC. (US) 2005-03-09 EP disclosed
EP-1125938-A1 Protein kinase inhibitors for treatment of neurological disorders CEPHALON, INC. (US) 2001-08-22 EP disclosed
EP-1002534-A1 Bis-Staurosporine and K-252a derivatives CEPHALON, INC. (US) 2000-05-24 EP disclosed
US-5756494-A ENZYME INHIBITORS FOR NERVOUS SYSTEM DISORDERS CEPHALON, INC. (US) 1998-05-26 US disclosed
US-5741808-A ENZYME INHIBITORS FOR NERVOUS SYSTEM DISORDERS CEPHALON, INC. (US) 1998-04-21 US disclosed
EP-0788501-A1 PROTEIN KINASE INHIBITORS FOR TREATMENT OF NEUROLOGICAL DISORDERS CEPHALON, INC. (US) 1997-08-13 EP disclosed
EP-0768312-A2 Bis-Staurosporine and K-252a derivatives CEPHALON, INC. (US) 1997-04-16 EP disclosed
US-5621101-A PROTEIN KINASE INHIBITORS CEPHALON, INC. (US) 1997-04-15 US disclosed
US-5621100-A PROTEIN KINASE ENZYME INHIBITORS CEPHALON, INC. (US) 1997-04-15 US disclosed
WO-1996013506-A1 PROTEIN KINASE INHIBITORS FOR TREATMENT OF NEUROLOGICAL DISORDERS CEPHALON, INC. (US) 1996-05-09 WO disclosed
US-5461146-A Enzyme inhibitor protecting nerve cells from degeneration CEPHALON, INC. (US) 1995-10-24 US disclosed
EP-0651754-A4 BIS-STAUROSPORINE AND K-252a DERIVATIVES. CEPHALON INC (US) 1995-08-09 EP disclosed
EP-0651754-A1 BIS-STAUROSPORINE AND K-252a DERIVATIVES. CEPHALON INC (US) 1995-05-10 EP disclosed
WO-1994002488-A1 BIS-STAUROSPORINE AND K-252a DERIVATIVES CEPHALON, INC. (US) 1994-02-03 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-20150344613-A1 POLYTHIOUREA COMPOSITIONS AND METHODS OF USE PNMT, SRM, PUF60 TRPA1 199/4885NAAA 936/4885MIF 2203/4885

“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.