SCHEMBL10182161

SCHEMBL10182161

COc1cc(P2(=O)CCC(NC(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
HTR4 Q13639 1/20 0.38
KDM4D Q6B0I6 3/20 0.38
BTK Q06187 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 1/20 0.37
CACNA1B Q00975 1/20 0.37

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
SCHEMBL10182159 0.83 DRD2 (0.41) CFTRKDM1AMAOBKDM4DCACNB4
SCHEMBL12426368 0.79 HPGDS (0.47) KDM1AMAOBHTR4KMT2A
SCHEMBL15217772 0.77 ALDH1A1 (0.38) HTR4DRD2KMT2A
SCHEMBL517615 0.77 SUV39H2 (0.53) CFTRKDM4DHDAC3HDAC1HDAC2
SCHEMBL29435443 0.77 SUV39H2 (0.53) CFTRKDM4DHDAC3HDAC1HDAC2
SCHEMBL15217774 0.74 ALDH1A1 (0.41) HTR4KMT2A
SCHEMBL30184542 0.73 ALDH1A1 (0.49) KMT2AL3MBTL1
SCHEMBL28543056 0.72 MAP4K4 (0.52) BTKSUV39H2
SCHEMBL28543055 0.72 MAP4K4 (0.52) BTKSUV39H2
SCHEMBL11916218 0.71 ALDH1A1 (0.47) HTR4KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 CFTR 1516/4885KDM1A 485/4885MAOB 800/4885

“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.