SCHEMBL1522158

SCHEMBL1522158

CN(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
TDP1 Q9NUW8 1/20 0.44
GSK3B P49841 3/20 0.40
PRKCG P05129 2/20 0.40
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
NR1I2 O75469 1/20 0.39
CYP2C9 P11712 1/20 0.39
MPO P05164 4/20 0.38
XDH P47989 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RXRA P19793 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1376709 0.95 MAPK1 (0.43) MAPK1HSD17B10TDP1GSK3BPRKCG
SCHEMBL1379661 0.91 KDM4E (0.46) MAPK1HSD17B10TDP1NR1I2CYP2C9
SCHEMBL1522154 0.91 MAPK1 (0.56) MAPK1HSD17B10TDP1GSK3BPRKCG
SCHEMBL1522776 0.90 HSD17B10 (0.47) MAPK1HSD17B10TDP1NR1I2CYP2C9
SCHEMBL1522653 0.89 MAPK1 (0.46) MAPK1HSD17B10GSK3BPRKCGPRKCB
SCHEMBL1376699 0.86 MAPK1 (0.53) MAPK1HSD17B10TDP1GSK3BPRKCG
SCHEMBL1376816 0.86 MAPK1 (0.46) MAPK1HSD17B10TDP1GSK3BNR1I2
SCHEMBL1522781 0.86 MAPK1 (0.44) MAPK1HSD17B10GSK3BNR1I2CYP2C9
SCHEMBL1522313 0.86 MAPK1 (0.53) MAPK1HSD17B10NR1I2CYP2C9ALDH1A1
SCHEMBL1377327 0.85 MAPK1 (0.45) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPK1 1456/4885HSD17B10 1232/4885TDP1 2451/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885TDP1 2451/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPK1 739/4885HSD17B10 1422/4885TDP1 2569/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPK1 2328/4885HSD17B10 1335/4885TDP1 3552/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885TDP1 2451/4885

“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.