SCHEMBL1522448

SCHEMBL1522448

NC(=O)COc1ccc2c(c1)S(O)(O)N=C(c1c(O)c3ccccc3n(NC3CCCCC3)c1=O)N2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.50
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1I2 O75469 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL1522201 0.99 CYP2C9 (0.51) CYP2C9MAPK1HSD17B10NR1I2RXFP1
SCHEMBL1522396 0.98 CYP2C9 (0.51) CYP2C9MAPK1HSD17B10NR1I2RXFP1
SCHEMBL1522450 0.93 CYP2C9 (0.59) CYP2C9MAPK1HSD17B10NR1I2RXFP1
SCHEMBL1522203 0.92 CYP2C9 (0.59) CYP2C9MAPK1HSD17B10NR1I2RXFP1
SCHEMBL1522398 0.91 CYP2C9 (0.59) CYP2C9MAPK1HSD17B10NR1I2RXFP1
SCHEMBL1522900 0.89 CYP2C9 (0.38) CYP2C9MAPK1HSD17B10NR1I2RXFP1
SCHEMBL1523282 0.88 CYP2C9 (0.39) CYP2C9MAPK1HSD17B10NR1I2RXFP1
SCHEMBL1376993 0.88 CYP2C9 (0.46) CYP2C9RXFP1KMT2APOLBLMNA
SCHEMBL1522251 0.88 CYP2C9 (0.54) CYP2C9MAPK1HSD17B10NR1I2ALDH1A1
SCHEMBL1523036 0.87 CYP2C9 (0.39) CYP2C9MAPK1HSD17B10NR1I2RXFP1

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-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-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-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 (4 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-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB CYP2C9 682/4885MAPK1 1456/4885HSD17B10 1232/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 CYP2C9 1503/4885MAPK1 739/4885HSD17B10 1422/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT CYP2C9 1715/4885MAPK1 2328/4885HSD17B10 1335/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB CYP2C9 682/4885MAPK1 1456/4885HSD17B10 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.