SCHEMBL9054160

SCHEMBL9054160

CC(O)C(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 1/20 0.43
CYP2D6 P10635 1/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
SYK P43405 1/20 0.40
SERPINE1 P05121 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL17177660 0.89 MEN1 (0.46) KMT2AMEN1GAATDP1CA1
SCHEMBL8366813 0.86 CA1 (0.49) KMT2AMEN1GAATDP1CA1
SCHEMBL223317 0.84 MEN1 (0.49) KMT2AMEN1GAATDP1CA1
SCHEMBL347096 0.84 MEN1 (0.49) KMT2AMEN1GAATDP1CA1
SCHEMBL348464 0.84 MEN1 (0.49) KMT2AMEN1GAATDP1CA1
SCHEMBL25652393 0.83 CTSS (0.40) KMT2AMEN1GAATDP1CA1
SCHEMBL20355676 0.83 MEN1 (0.45) KMT2AMEN1GAATDP1CA1
SCHEMBL20367073 0.83 CTSK (0.50) KMT2AMEN1GAATDP1CA1
SCHEMBL18779725 0.82 CYP2D6 (0.42) KMT2AMEN1GAATDP1CA1
SCHEMBL1105702 0.82 PCSK9 (0.50) KMT2AMEN1GAATDP1CA1

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-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-1996014842-A1 SUBSTITUTED HETEROCYCLES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 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 (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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 KMT2A 3498/4885MEN1 3774/4885GAA 3160/4885

“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.