SCHEMBL1522559

SCHEMBL1522559

Cc1ccccc1Cn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccnc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NR1I2 O75469 1/20 0.46
CYP2C9 P11712 1/20 0.46
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 2/20 0.38
TP53 P04637 1/20 0.38
CNR2 P34972 5/20 0.37
CNR1 P21554 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL1522558 0.91 MAPK1 (0.46) MAPK1HSD17B10NR1I2CYP2C9THRB
SCHEMBL1522306 0.89 MAPK1 (0.54) MAPK1HSD17B10NR1I2CYP2C9RXFP1
SCHEMBL1522193 0.88 MAPK1 (0.57) MAPK1HSD17B10NR1I2CYP2C9THRB
SCHEMBL1522473 0.87 MAPK1 (0.58) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1522825 0.87 MAPK1 (0.52) MAPK1HSD17B10NR1I2CYP2C9RXFP1
SCHEMBL1522497 0.86 MAPK1 (0.57) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1522471 0.86 MAPK1 (0.55) MAPK1HSD17B10NR1I2CYP2C9THRB
SCHEMBL1522694 0.85 MAPK1 (0.56) MAPK1HSD17B10NR1I2CYP2C9TP53
SCHEMBL1522303 0.85 MAPK1 (0.54) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1522578 0.85 MAPK1 (0.54) MAPK1HSD17B10NR1I2CYP2C9THRB

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 1232/4885NR1I2 1899/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885NR1I2 1899/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPK1 739/4885HSD17B10 1422/4885NR1I2 1323/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPK1 2328/4885HSD17B10 1335/4885NR1I2 2436/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885NR1I2 1899/4885

“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.