SCHEMBL1376995

SCHEMBL1376995

NC(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3sccc3n(NC3CCCCC3)c1=O)N2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.54
LMNA P02545 1/20 0.35
NR1I2 O75469 1/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 4/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 2/20 0.32
ROCK2 O75116 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
SCHEMBL1376993 0.93 CYP2C9 (0.46) CYP2C9LMNAKMT2AMEN1TSHR
SCHEMBL1523499 0.89 CYP2C9 (0.42) CYP2C9LMNANR1I2KMT2AMEN1
SCHEMBL1522450 0.88 CYP2C9 (0.59) CYP2C9LMNANR1I2KMT2AMEN1
SCHEMBL1522203 0.87 CYP2C9 (0.59) CYP2C9NR1I2KMT2AMEN1MAPK1
SCHEMBL1523867 0.86 CYP2C9 (0.37) CYP2C9LMNANR1I2KMT2AMEN1
SCHEMBL1522398 0.85 CYP2C9 (0.59) CYP2C9NR1I2KMT2AMEN1TSHR
SCHEMBL1379858 0.83 CYP2C9 (0.45) CYP2C9LMNANR1I2KMT2AMEN1
SCHEMBL1522249 0.83 CYP2C9 (0.45) CYP2C9LMNANR1I2KMT2AMEN1
SCHEMBL1522260 0.82 CYP2C9 (0.46) CYP2C9LMNANR1I2KMT2AMEN1
SCHEMBL1523498 0.82 MAOB (0.36) CYP2C9LMNANR1I2KMT2AMEN1

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 14 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-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-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 682/4885LMNA 3232/4885NR1I2 1899/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 CYP2C9 1503/4885LMNA 4000/4885NR1I2 1323/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT CYP2C9 1715/4885LMNA 4225/4885NR1I2 2436/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB CYP2C9 682/4885LMNA 3232/4885NR1I2 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.