SCHEMBL5452387

SCHEMBL5452387

[CH2]SCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.43
FFAR1 O14842 1/20 0.42
DAO P14920 1/20 0.41
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL272413 0.85
SCHEMBL8825508 0.80 TAAR1 (0.54) TAAR1IDO1AGXTABCC4LMNA
SCHEMBL7447838 0.79 MAOB (0.47) TAAR1IDO1GAAALDH1A1MAPK1
SCHEMBL19403588 0.76 TAAR1 (0.50) TAAR1IDO1AGXTABCC4LMNA
SCHEMBL7024703 0.76 TAAR1 (0.50) TAAR1IDO1AGXTABCC4LMNA
SCHEMBL8825504 0.74 IDO1 (0.48) TAAR1IDO1AGXTABCC4LMNA
Biphenyl SCHEMBL496942 0.72 CYP2C19 (0.50) TAAR1IDO1ALDH1A1MMP12MMP13
Dibenzyl Disulfide SCHEMBL1644772 0.72 ALDH1A1 (0.50) TAAR1IDO1ALDH1A1CYP1A2CYP3A4
SCHEMBL2575077 0.72 TAAR1 (0.56) TAAR1IDO1AGXTABCC4LMNA
SCHEMBL677087 0.72 TAAR1 (0.56) TAAR1IDO1AGXTABCC4LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US claimed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP claimed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO claimed
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP claimed
US-6103739-A BONE RESORPTION; ANTIINFLAMMATORY AGENTS, SKIN DISORDERS; ANTITUMOR-CARCINOGENIC AND METASTASES AGENTS; ANGIOGENESIS INHIBITORS; ANTIARRITHIC AGENTS; RHEUMATOID DISEASES; OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS AND CORNEAL ULCERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-08-15 US claimed
EP-0944597-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP claimed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP claimed
WO-1998023588-A9 METALLOPROTEINASE INHIBITORS 1998-09-17 WO claimed
WO-1998023588-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-04 WO claimed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO claimed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO claimed
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US disclosed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP disclosed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO disclosed
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP disclosed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP disclosed
WO-1998023588-A9 METALLOPROTEINASE INHIBITORS 1998-09-17 WO disclosed
WO-1998023588-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-04 WO disclosed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO disclosed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 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-20070099958-A1 Protease inhibitors CTSC, DPP7, BACE1 TAAR1 4738/4885IDO1 1577/4885AGXT 4231/4885

“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.