SCHEMBL7654922

SCHEMBL7654922

CCOC(=O)/C(=C\N(C)C)C(=O)c1cc(F)c(F)c(C#N)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
STAT3 P40763 1/20 0.42
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 2/20 0.39
MAPT P10636 7/20 0.36
NPSR1 Q6W5P4 4/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 5/20 0.35
GLA P06280 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL7486003 1.00 CYP2C9 (0.43) CYP2C9STAT3CYP11B1CYP11B2MAPT
SCHEMBL13341761 0.86 STAT3 (0.41) CYP2C9STAT3MAPTNPSR1LMNA
SCHEMBL4567521 0.85 MEN1 (0.40) CYP2C9STAT3CYP11B1CYP11B2MAPT
SCHEMBL30843044 0.85 MEN1 (0.40) CYP2C9STAT3CYP11B1CYP11B2MAPT
SCHEMBL3695378 0.85 MEN1 (0.40) CYP2C9STAT3CYP11B1CYP11B2MAPT
SCHEMBL9561731 0.85 MEN1 (0.40) CYP2C9STAT3CYP11B1CYP11B2MAPT
SCHEMBL7615300 0.84 CYP2C9 (0.41) CYP2C9STAT3CYP11B1CYP11B2MAPT
SCHEMBL7658973 0.84 CYP2C9 (0.41) CYP2C9STAT3CYP11B1CYP11B2MAPT
SCHEMBL7519196 0.84 MEN1 (0.40) CYP2C9CYP11B1CYP11B2MAPTNPSR1
SCHEMBL7519192 0.84 MEN1 (0.40) CYP2C9CYP11B1CYP11B2MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432948-B1 ANTIULCER AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
US-6323213-B1 ANTIBIOTICS, BACTERICIDES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2001-11-27 US disclosed
US-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders PETERSEN UWE (DE) 2001-11-01 US disclosed
US-6288081-B1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolone carboxylic acid and naphthyridone carboxylic acid derivatives for treating Helicobacter pylori infections and the gastroduodenal diseases associated therewith BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
US-6278013-B1 AS CHEMICAL INTERMEDIATES FOR PREPARING QUINOLINECARBOXYLIC ACID DERIVATIVE ANTIBIOTICS USED IN VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed
US-6133260-A Use of 7-(2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-quinolone carboxylic acid and naphthyridon carboxylic acid derivatives for the treatment of Helicobacter pylori infections and associated gastroduodenal diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-10-17 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-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders OXER1, AOC3, PAM CYP2C9 398/4885STAT3 1093/4885CYP11B1 1013/4885

“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.