SCHEMBL1522582

SCHEMBL1522582

CC(C)=CCCn1c(=O)c(C2=NS(O)(O)c3ccccc3N2)c(O)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NR1I2 O75469 1/20 0.39
CYP2C9 P11712 1/20 0.39
CNR2 P34972 8/20 0.34
CNR1 P21554 5/20 0.34
PDE4D Q08499 4/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
CCNT1 O60563 1/20 0.30
PIM1 P11309 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL1522579 0.91 MAPK1 (0.56) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1377327 0.90 MAPK1 (0.45) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1522776 0.86 HSD17B10 (0.47) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1376816 0.86 MAPK1 (0.46) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1522313 0.86 MAPK1 (0.53) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1522653 0.85 MAPK1 (0.46) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1523006 0.85 MAPK1 (0.47) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1522158 0.84 MAPK1 (0.45) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1522469 0.84 MAPK1 (0.50) MAPK1HSD17B10NR1I2CYP2C9CNR2
SCHEMBL1522455 0.84 HSD17B10 (0.46) MAPK1HSD17B10NR1I2CYP2C9CNR2

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.