SCHEMBL15577486

SCHEMBL15577486

CCOC(=O)COc1cc(O)cc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 3/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
GLA P06280 2/20 0.43
SQOR Q9Y6N5 1/20 0.42
ALK Q9UM73 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL15778741 0.84 GAA (0.47) GAANPSR1HPGDKMT2AALDH1A1
SCHEMBL18255016 0.81 KDM4E (0.50) GAANPSR1HPGDKMT2AALDH1A1
SCHEMBL10421517 0.80 FFAR1 (0.50) ALDH1A1PPARG
SCHEMBL15601402 0.80 GAA (0.50) GAANPSR1HPGDKMT2AALDH1A1
SCHEMBL1251594 0.80 GAA (0.62) GAANPSR1HPGDKMT2AALDH1A1
SCHEMBL10289328 0.80 PPARA (0.55) GAANPSR1HPGDKMT2AALDH1A1
SCHEMBL7994043 0.79 HPGD (0.50) GAANPSR1HPGDKMT2AALDH1A1
SCHEMBL5533538 0.75 ALDH1A1 (0.50) GAANPSR1HPGDKMT2AALDH1A1
SCHEMBL5540842 0.75 ALDH1A1 (0.50) GAANPSR1HPGDKMT2AALDH1A1
SCHEMBL7976099 0.75 GAA (0.51) GAANPSR1HPGDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895488-B1 TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC (US) 2024-12-11 EP disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
CN-105189505-B Tricyclic gyrase inhibitors as antibacterial agents 默克夏普&多梅有限公司 2019-03-22 CN disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
EP-2895488-A1 TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS Trius Therapeutics, Inc. (US) 2015-07-22 EP disclosed
WO-2014043272-A1 TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS TRIUS THERAPEUTICS INC. (US) 2014-03-20 WO disclosed
WO-2014043272-A1 TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS TRIUS THERAPEUTICS INC. (US) 2014-03-20 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-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B GAA 82/4885NPSR1 4795/4885HPGD 168/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B GAA 82/4885NPSR1 4795/4885HPGD 168/4885

“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.