SCHEMBL1522558

SCHEMBL1522558

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 2/20 0.38
TP53 P04637 1/20 0.38
NR1I2 O75469 1/20 0.37
CYP2C9 P11712 1/20 0.37
CNR2 P34972 5/20 0.37
CNR1 P21554 2/20 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
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 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
SCHEMBL1522559 0.91 MAPK1 (0.57) MAPK1HSD17B10THRBRXFP1TP53
SCHEMBL1522307 0.89 MAPK1 (0.44) MAPK1HSD17B10RXFP1NR1I2CYP2C9
SCHEMBL1522192 0.88 MAPK1 (0.46) MAPK1HSD17B10THRBRXFP1TP53
SCHEMBL1522476 0.87 CNR2 (0.47) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1522827 0.87 MAPK1 (0.42) MAPK1HSD17B10RXFP1NR1I2CYP2C9
SCHEMBL1522495 0.86 MAPK1 (0.46) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1522470 0.86 MAPK1 (0.45) MAPK1HSD17B10THRBNR1I2CYP2C9
SCHEMBL1522693 0.85 MAPK1 (0.45) MAPK1HSD17B10TP53NR1I2CYP2C9
SCHEMBL1522577 0.85 MAPK1 (0.44) MAPK1HSD17B10THRBRXFP1TP53
SCHEMBL1522301 0.85 MAPK1 (0.44) MAPK1HSD17B10RXFP1TP53NR1I2

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 1232/4885THRB 3869/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885THRB 3869/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPK1 739/4885HSD17B10 1422/4885THRB 4632/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPK1 2328/4885HSD17B10 1335/4885THRB 4525/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885THRB 3869/4885

“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.