SCHEMBL1522598

SCHEMBL1522598

O=c1c(C2=NS(O)(O)c3ccccc3N2)c(O)c2cccnc2n1Cc1cncc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C9 P11712 2/20 0.37
NR1I2 O75469 1/20 0.37
CNR2 P34972 7/20 0.37
CNR1 P21554 2/20 0.37
PKM P14618 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MAPK10 P53779 1/20 0.32
GABRA5 P31644 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL1522597 0.92 MAPK1 (0.51) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL1523311 0.90 MAPK1 (0.43) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL1522430 0.90 MAPK1 (0.42) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL1522580 0.89 MAPK1 (0.44) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL1523090 0.89 MAPK1 (0.44) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL1522693 0.87 MAPK1 (0.45) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL1522476 0.87 CNR2 (0.47) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL1522278 0.84 MAPK1 (0.43) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL1522268 0.84 MAPK1 (0.43) MAPK1HSD17B10CYP2C9NR1I2CNR2
SCHEMBL1523058 0.84 CNR2 (0.43) MAPK1HSD17B10CYP2C9CNR2CNR1

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 10 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
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 1232/4885CYP2C9 682/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885CYP2C9 682/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPK1 739/4885HSD17B10 1422/4885CYP2C9 1503/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPK1 2328/4885HSD17B10 1335/4885CYP2C9 1715/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885CYP2C9 682/4885

“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.