SCHEMBL4010501

SCHEMBL4010501

Nc1cc(CC(CS)C(=O)O)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.55
GABRD O14764 2/20 0.55
GABRA1 P14867 2/20 0.55
GABRB1 P18505 2/20 0.55
GABRG2 P18507 2/20 0.55
GABRB3 P28472 2/20 0.55
GABRA5 P31644 2/20 0.55
GABRA3 P34903 2/20 0.55
GABRA2 P47869 2/20 0.55
GABRB2 P47870 2/20 0.55
GABRA4 P48169 2/20 0.55
GABRE P78334 2/20 0.55
GABRA6 Q16445 2/20 0.55
GABRG1 Q8N1C3 2/20 0.55
GABRG3 Q99928 2/20 0.55
GABRQ Q9UN88 2/20 0.55
FOLH1 Q04609 2/20 0.54
CPA3 P15088 1/20 0.54
CPB2 Q96IY4 2/20 0.52
NOS3 P29474 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
SCHEMBL5075789 0.85 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22775321 0.80 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14780595 0.80 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25354508 0.80 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29604446 0.80 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7048054 0.77 FOLH1 (0.70) FOLH1CPA3
SCHEMBL4007106 0.77 CPB2 (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31688543 0.75 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25357726 0.75 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25357730 0.75 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor GARDELL STEPHEN J (US) 2003-02-20 US claimed
WO-2009082340-A1 METHOD FOR MONITORING THE PROGRESSION OF FIBRINOLYSIS'646 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor GARDELL STEPHEN J (US) 2003-02-20 US disclosed
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor GARDELL STEPHEN J (US) 2003-02-20 US disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 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-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor BPGM, PLG, FGB GABRP 162/4885GABRD 714/4885GABRA1 295/4885

“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.