SCHEMBL4509748

SCHEMBL4509748

CCOC(=O)Nc1ccsc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.61
PTPN2 P17706 1/20 0.57
PTPN1 P18031 1/20 0.57
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
PKM P14618 2/20 0.55
MAPK8 P45983 2/20 0.54
MAPK9 P45984 2/20 0.54
MAPK10 P53779 2/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL2802258 0.86 HPGD (0.62) KMT2AMEN1NPC1RAB9APKM
SCHEMBL20303095 0.84 ABCC1 (0.54) ABCC1PTPN2PTPN1KMT2AMEN1
SCHEMBL4507572 0.81 CASP3 (0.60) ABCC1PTPN2PTPN1KMT2AMEN1
SCHEMBL23931980 0.79 PTPN2 (0.72) ABCC1PTPN2PTPN1KMT2AMEN1
SCHEMBL429230 0.78 PTPN2 (0.57) ABCC1PTPN2PTPN1KMT2AMEN1
SCHEMBL3961245 0.77 CYP1A2 (0.50) KMT2AMEN1PKMMAPK8MAPK9
SCHEMBL27777556 0.76 MAPK8 (0.66) KMT2AMEN1RAB9APKMMAPK8
SCHEMBL1704250 0.76 PTPN2 (0.68) ABCC1PTPN2PTPN1KMT2AMEN1
SCHEMBL10470287 0.76 ABCC1 (0.58) ABCC1PTPN2KMT2AMEN1NPC1
SCHEMBL1285222 0.76 ABCC1 (0.63) ABCC1PTPN2PTPN1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553849-B2 Compounds ACTIVE BIOTECH AB (SE) 2009-06-30 US disclosed
EP-1776369-B1 THIENOPYRIDONE CARBOXAMIDES AND THEIR MEDICAL USE ACTIVE BIOTECH AB (SE) 2007-10-10 EP disclosed
US-20060004038-A1 Novel compounds ACTIVE BIOTECH AB (SE) 2006-01-05 US disclosed
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 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 (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-20060004038-A1 Novel compounds REL, CLIC4, C5 ABCC1 1483/4885PTPN2 3401/4885PTPN1 3262/4885

“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.