SCHEMBL1522592

SCHEMBL1522592

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 4/20 0.47
THRB P10828 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
NR1I2 O75469 1/20 0.44
CYP2C9 P11712 1/20 0.44
RXFP1 Q9HBX9 2/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CNR2 P34972 2/20 0.40
TSHR P16473 1/20 0.40
ENPP2 Q13822 1/20 0.40
CNR1 P21554 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 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
SCHEMBL1522591 0.92 MAPT (0.47) MAPK1HSD17B10MAPTTHRBPTGDR2
SCHEMBL1522525 0.91 MAPK1 (0.52) MAPK1HSD17B10MAPTTHRBNR1I2
SCHEMBL1522193 0.91 MAPK1 (0.57) MAPK1HSD17B10MAPTTHRBPTGDR2
SCHEMBL1522473 0.90 MAPK1 (0.58) MAPK1HSD17B10MAPTPTGDR2NR1I2
SCHEMBL1523104 0.90 MAPT (0.47) MAPK1HSD17B10MAPTTHRBPTGDR2
SCHEMBL1522295 0.89 MAPK1 (0.52) MAPK1HSD17B10MAPTNR1I2CYP2C9
SCHEMBL1523088 0.89 MAPK1 (0.54) MAPK1HSD17B10THRBNR1I2CYP2C9
SCHEMBL1522329 0.89 MAPK1 (0.54) MAPK1HSD17B10PTGDR2NR1I2CYP2C9
SCHEMBL1522694 0.89 MAPK1 (0.56) MAPK1HSD17B10PTGDR2NR1I2CYP2C9
SCHEMBL1523521 0.88 MAPK1 (0.56) MAPK1HSD17B10THRBPTGDR2NR1I2

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 MAPK1 1456/4885HSD17B10 1232/4885MAPT 4106/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885MAPT 4106/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPK1 739/4885HSD17B10 1422/4885MAPT 4529/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPK1 2328/4885HSD17B10 1335/4885MAPT 4234/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885MAPT 4106/4885

“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.