SCHEMBL1522413

SCHEMBL1522413

O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccnc2n1CCC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.62
NR1I2 O75469 1/20 0.62
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 1/20 0.52
CNR2 P34972 8/20 0.41
CNR1 P21554 5/20 0.41
MAPT P10636 1/20 0.39
ENPP2 Q13822 1/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL1522414 0.92 CYP2C9 (0.52) CYP2C9NR1I2HSD17B10MAPK1CNR2
SCHEMBL1522709 0.91 MAPK1 (0.54) CYP2C9NR1I2HSD17B10MAPK1CNR2
SCHEMBL1522275 0.89 MAPK1 (0.54) CYP2C9NR1I2HSD17B10MAPK1CNR2
SCHEMBL1522727 0.88 MAPK1 (0.56) CYP2C9NR1I2HSD17B10MAPK1CNR2
SCHEMBL1522331 0.87 CYP2C9 (0.58) CYP2C9NR1I2HSD17B10MAPK1CNR2
SCHEMBL1376802 0.85 MAPK1 (0.58) CYP2C9NR1I2HSD17B10MAPK1CNR2
SCHEMBL1522235 0.84 MAPK1 (0.51) CYP2C9NR1I2HSD17B10MAPK1CNR2
SCHEMBL1522620 0.84 MAPK1 (0.51) CYP2C9NR1I2HSD17B10MAPK1CNR2
SCHEMBL1522654 0.84 MAPK1 (0.57) CYP2C9NR1I2HSD17B10MAPK1CNR2
SCHEMBL1377316 0.83 MAPK1 (0.56) CYP2C9NR1I2HSD17B10MAPK1CNR2

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 CYP2C9 682/4885NR1I2 1899/4885HSD17B10 1232/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB CYP2C9 682/4885NR1I2 1899/4885HSD17B10 1232/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 CYP2C9 1503/4885NR1I2 1323/4885HSD17B10 1422/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT CYP2C9 1715/4885NR1I2 2436/4885HSD17B10 1335/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB CYP2C9 682/4885NR1I2 1899/4885HSD17B10 1232/4885

“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.