SCHEMBL1379880

SCHEMBL1379880

O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.57
MAPK1 P28482 1/20 0.57
NR1I2 O75469 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 5/20 0.37
HPGD P15428 3/20 0.37
ALOX15 P16050 1/20 0.36
SHMT2 P34897 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 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
SCHEMBL1379878 0.91 HSD17B10 (0.47) HSD17B10MAPK1NR1I2CYP2C9KDM4E
SCHEMBL1377081 0.91 MAPK1 (0.63) HSD17B10MAPK1NR1I2CYP2C9KDM4E
SCHEMBL1377212 0.87 HSD17B10 (0.44) HSD17B10MAPK1NR1I2CYP2C9KDM4E
SCHEMBL1376460 0.86 MAPK1 (0.59) HSD17B10MAPK1NR1I2CYP2C9KDM4E
SCHEMBL1378287 0.86 MAPK1 (0.61) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL6738199 0.86 MAPK1 (0.66) HSD17B10MAPK1NR1I2CYP2C9KDM4E
SCHEMBL1522340 0.85 MAPK1 (0.56) HSD17B10MAPK1NR1I2CYP2C9KDM4E
SCHEMBL1378473 0.85 MAPK1 (0.59) HSD17B10MAPK1NR1I2CYP2C9LMNA
SCHEMBL1377768 0.84 MAPK1 (0.60) HSD17B10MAPK1NR1I2CYP2C9KDM4E
SCHEMBL1378659 0.84 MAPK1 (0.57) HSD17B10MAPK1NR1I2CYP2C9KDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4738172-B2 2011-08-03 JP claimed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP claimed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US claimed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US claimed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US claimed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US 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-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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE HSD17B10 305/4885MAPK1 135/4885NR1I2 213/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB HSD17B10 1232/4885MAPK1 1456/4885NR1I2 1899/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 HSD17B10 1422/4885MAPK1 739/4885NR1I2 1323/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT HSD17B10 1335/4885MAPK1 2328/4885NR1I2 2436/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB HSD17B10 1232/4885MAPK1 1456/4885NR1I2 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.