SCHEMBL1522591

SCHEMBL1522591

COc1ccc(Cn2c(=O)c(C3=NS(O)(O)c4ccccc4N3)c(O)c3cccnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
THRB P10828 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 2/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
CNR2 P34972 5/20 0.40
CNR1 P21554 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 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
SCHEMBL1522592 0.92 MAPK1 (0.54) MAPTTHRBPTGDR2MAPK1HSD17B10
SCHEMBL1522524 0.91 MAPT (0.51) MAPTTHRBMAPK1HSD17B10KMT2A
SCHEMBL1522192 0.91 MAPK1 (0.46) MAPTTHRBPTGDR2MAPK1HSD17B10
SCHEMBL1522476 0.90 CNR2 (0.47) MAPTPTGDR2MAPK1HSD17B10KMT2A
SCHEMBL1523103 0.90 MAPT (0.47) MAPTTHRBPTGDR2MAPK1HSD17B10
SCHEMBL1522297 0.89 MAPK1 (0.42) MAPTMAPK1HSD17B10RXFP1KMT2A
SCHEMBL1523090 0.89 MAPK1 (0.44) THRBMAPK1HSD17B10RXFP1ALDH1A1
SCHEMBL1522330 0.89 MAPK1 (0.44) PTGDR2MAPK1HSD17B10KMT2AMEN1
SCHEMBL1522693 0.89 MAPK1 (0.45) PTGDR2MAPK1HSD17B10KMT2AMEN1
SCHEMBL1523523 0.88 MAPK1 (0.46) THRBPTGDR2MAPK1HSD17B10RXFP1

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-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US claimed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US claimed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 US claimed
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 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 (5 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB MAPT 4106/4885THRB 3869/4885PTGDR2 4141/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB MAPT 4106/4885THRB 3869/4885PTGDR2 4141/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPT 4529/4885THRB 4632/4885PTGDR2 4076/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPT 4234/4885THRB 4525/4885PTGDR2 4088/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPT 4106/4885THRB 3869/4885PTGDR2 4141/4885

“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.