SCHEMBL6234512

SCHEMBL6234512

NC(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cc(F)ccc3n(CCC3CC3)c1=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 1.00
NR1I2 O75469 1/20 0.72
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLK1 P53350 4/20 0.37
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CRY1 Q16526 5/20 0.31
CRY2 Q49AN0 5/20 0.31
PER2 O15055 3/20 0.31
MGAT2 Q10469 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
SCHEMBL6267035 0.95 CYP2C9 (0.90) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6688874 0.94 CYP2C9 (0.88) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6232681 0.93 CYP2C9 (0.88) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6736116 0.91 CYP2C9 (0.84) CYP2C9NR1I2MAPK1HSD17B10HIF1A
SCHEMBL6732550 0.91 CYP2C9 (0.83) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6285555 0.91 CYP2C9 (0.83) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6684550 0.90 CYP2C9 (0.82) CYP2C9NR1I2MAPK1HSD17B10HIF1A
SCHEMBL6235993 0.90 CYP2C9 (0.82) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6736069 0.90 CYP2C9 (0.82) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6692294 0.89 CYP2C9 (0.80) CYP2C9NR1I2MAPK1HSD17B10PLK1

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
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") PFIZER INC. 2007-10-04 US disclosed
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") PFIZER INC. 2007-10-04 US disclosed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
WO-2004052313-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO 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 (2 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 CYP2C9 1218/4885NR1I2 1798/4885MAPK1 3699/4885
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") AP1M1, AP1G1, AP3B1 CYP2C9 3503/4885NR1I2 1539/4885MAPK1 1092/4885

“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.