SCHEMBL16766556

SCHEMBL16766556

CCOP(=O)(CC(=O)Nc1ccccc1N(C(=O)O)C(C)(C)C)OCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ P4HTM Q9NXG6 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
SCHEMBL12497355 0.79 KDM4E (0.47) PTK2KDM4EKMT2APOLBGAA
SCHEMBL4817806 0.76 HPGD (0.53) KDM4EPOLBMAPTMAPK1SMN1; SMN2
SCHEMBL13653517 0.76 GAA (0.51) PTK2KDM4EKMT2AGAATSHR
SCHEMBL15483137 0.76 LMNA (0.41) PTK2KDM4EKMT2APOLBGAA
SCHEMBL10952765 0.74 NPSR1 (0.53) KDM4EGAAMAPTMAPK1SMN1; SMN2
SCHEMBL28046922 0.72 GAA (0.44) PTK2KDM4EKMT2APOLBGAA
SCHEMBL28463477 0.71 GAA (0.48) KMT2APOLBGAACYP2C19TSHR
SCHEMBL13966687 0.70 NPC1 (0.53) KDM4EKMT2APOLBGAAMAPT
SCHEMBL20657015 0.69 HDAC1 (0.46) KDM4EPOLBMAPT
SCHEMBL247987 0.68 CACNA1B (0.57) KMT2APOLBMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512143-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2016-12-06 — — US disclosed
US-20150158884-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARM INC (US) 2015-06-11 — — 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-20150158884-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 PTK2 3453/4885KDM4E 153/4885KMT2A 65/4885

“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.

Send feedback