SCHEMBL1124177

SCHEMBL1124177

CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NR1H2 P55055 7/20 0.55
NR1H3 Q13133 7/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4012072 0.84 NR1H2 (0.75) USP2TP53MAPK1RECQLHSD17B10
SCHEMBL1124405 0.83 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL7069485 0.82 TP53 (0.59) USP2TP53MAPK1RECQLHSD17B10
SCHEMBL1125003 0.82 TP53 (0.64) USP2TP53MAPK1RECQLHSD17B10
SCHEMBL1124642 0.81 KMT2A (0.65) USP2TP53MAPK1RECQLHSD17B10
SCHEMBL442163 0.81 KMT2A (0.65) USP2TP53MAPK1RECQLHSD17B10
SCHEMBL1124253 0.80 NR1H2 (0.68) USP2TP53MAPK1RECQLHSD17B10
SCHEMBL3068112 0.79 THRB (0.55) MAPTKMT2AMEN1KDM4ENPC1
SCHEMBL17841056 0.76 CDC25B (0.49) TP53MAPK1MAPTKMT2AMEN1
SCHEMBL1124932 0.74 NR1H2 (0.68) USP2TP53MAPK1RECQLHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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 (1 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 USP2 2597/4885TP53 4850/4885MAPK1 1719/4885

“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.