SCHEMBL4494878

SCHEMBL4494878

O=c1[nH]cc(Br)c2sc(-c3ccccc3)cc12

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.74
PTP4A3 O75365 1/20 0.69
PTP4A2 Q12974 1/20 0.69
PTP4A1 Q93096 1/20 0.69
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
CDK2 P24941 8/20 0.45
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42

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
SCHEMBL18323039 0.82 PTP4A3 (1.00) GSK3BPTP4A3PTP4A2PTP4A1RAB9A
SCHEMBL21963445 0.77 PTP4A3 (0.63) GSK3BPTP4A3PTP4A2PTP4A1RAB9A
SCHEMBL22107527 0.75 PTP4A3 (0.44) GSK3BPTP4A3PTP4A2PTP4A1RAB9A
SCHEMBL21963447 0.74 PTP4A3 (0.59) GSK3BPTP4A3PTP4A2PTP4A1RAB9A
SCHEMBL4349967 0.72 GSK3B (0.54) GSK3BPTP4A3PTP4A2PTP4A1ALDH1A1
SCHEMBL2236236 0.70 CYP1A1 (0.55) PTP4A3PTP4A2PTP4A1RAB9AALDH1A1
SCHEMBL15716938 0.70 GSK3B (0.51) GSK3BPTP4A3PTP4A2PTP4A1ALDH1A1
SCHEMBL4515919 0.70 RAB9A (0.55) PTP4A3PTP4A2PTP4A1RAB9AALDH1A1
Ammonia Solution, Strong SCHEMBL15716761 0.70 GSK3B (0.51) GSK3BPTP4A3PTP4A2PTP4A1ALDH1A1
SCHEMBL4345561 0.69 GSK3B (0.41) GSK3BPTP4A3PTP4A2PTP4A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
EP-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 WO disclosed
US-20040097485-A1 Antiinflammation agents TULARIK INC. 2004-05-20 US 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 (2 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-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA GSK3B 1989/4885PTP4A3 3920/4885PTP4A2 3329/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA GSK3B 1989/4885PTP4A3 3920/4885PTP4A2 3329/4885

“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.