SCHEMBL1522430

SCHEMBL1522430

O=c1c(C2=NS(O)(O)c3ccccc3N2)c(O)c2cccnc2n1Cc1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 4/20 0.39
CNR1 P21554 1/20 0.39
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 4/20 0.36
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL1522429 0.92 MAPK1 (0.52) MAPK1HSD17B10CNR2CNR1NR1I2
SCHEMBL1522268 0.91 MAPK1 (0.43) MAPK1HSD17B10CNR2CNR1NR1I2
SCHEMBL1523090 0.91 MAPK1 (0.44) MAPK1HSD17B10CNR2CNR1NR1I2
SCHEMBL1522476 0.90 CNR2 (0.47) MAPK1HSD17B10CNR2CNR1NR1I2
SCHEMBL1522598 0.90 MAPK1 (0.41) MAPK1HSD17B10CNR2CNR1NR1I2
SCHEMBL1522265 0.90 MAPT (0.48) MAPK1HSD17B10CNR2CNR1NR1I2
SCHEMBL1522696 0.90 PTGDR2 (0.44) MAPK1HSD17B10CNR2CNR1NR1I2
SCHEMBL1522577 0.90 MAPK1 (0.44) MAPK1HSD17B10CNR2CNR1NR1I2
SCHEMBL1523058 0.89 CNR2 (0.43) MAPK1HSD17B10CNR2CNR1CYP2C9
SCHEMBL1523428 0.88 MAPK1 (0.41) MAPK1HSD17B10CNR2CNR1NR1I2

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 11 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
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
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 1232/4885CNR2 4494/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885CNR2 4494/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPK1 739/4885HSD17B10 1422/4885CNR2 4140/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPK1 2328/4885HSD17B10 1335/4885CNR2 4150/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885CNR2 4494/4885

“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.