SCHEMBL15979050

SCHEMBL15979050

CCCC12CCC(NC(=O)OC(C)(C)C)(CC1)CO2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GHSR Q92847 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTSL P07711 1/20 0.31
CTSK P43235 1/20 0.31
GAA P10253 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
APLNR P35414 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
SCHEMBL14476419 0.89 TDP1 (0.35) KMT2AMEN1MAPK1CA1CA7
SCHEMBL15979046 0.89 KMT2A (0.35) KMT2AMEN1MAPK1CA12CA1
SCHEMBL15979051 0.88 MEN1 (0.33) KMT2AMEN1MAPK1CTSLCTSK
SCHEMBL15979060 0.86 MEN1 (0.35) KMT2AMEN1MAPK1GHSRCTSL
SCHEMBL15979203 0.84 MEN1 (0.34) KMT2AMEN1MAPK1GHSRCTSL
SCHEMBL15979061 0.84 MEN1 (0.34) KMT2AMEN1MAPK1GHSRCTSL
SCHEMBL14357982 0.84 MEN1 (0.34) KMT2AMEN1MAPK1GHSRALDH1A1
SCHEMBL14361710 0.84 CTSL (0.31) KMT2AMEN1MAPK1CTSLAPLNR
SCHEMBL14361711 0.84 CTSL (0.32) KMT2AMEN1MAPK1GHSRCTSL
SCHEMBL14475981 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD KMT2A 3965/4885MEN1 3154/4885MAPK1 2810/4885

“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.