SCHEMBL852009

SCHEMBL852009

CC(C)(C)OC(=O)NCc1ccc(Oc2cc(O)cc(C(=O)N3CCCC4CCCC=C43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.38
HDAC1 Q13547 2/20 0.36
NAMPT P43490 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
AVPR2 P30518 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
CHRM4 P08173 2/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33

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
SCHEMBL8511791 0.90 PRKAA2 (0.38) ROCK2HDAC1NAMPTHRH3JAK2
SCHEMBL8509245 0.89 ROCK2 (0.36) ROCK2HDAC1NAMPTMEN1KMT2A
SCHEMBL8512810 0.86 ROCK2 (0.34) ROCK2HDAC1NAMPTMEN1KMT2A
SCHEMBL15872871 0.83 ST14 (0.41) CHRM4
SCHEMBL851262 0.81 HSD11B1 (0.45) ROCK2HDAC1NAMPTMEN1KMT2A
SCHEMBL852152 0.79 CYP11B1 (0.39) MEN1KMT2ALMNAHRH3MAPT
SCHEMBL851687 0.78 PRSS1 (0.46) HDAC1NAMPTLMNAALDH1A1CHRM4
SCHEMBL851618 0.76 ALDH1A1 (0.47) NAMPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3794405 0.75 ST14 (0.48) HDAC1NAMPT
SCHEMBL861713 0.74 PRSS1 (0.43) HDAC1NAMPTMEN1KMT2ALMNA

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-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ROCK2 4485/4885HDAC1 486/4885NAMPT 1467/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ROCK2 4485/4885HDAC1 486/4885NAMPT 1467/4885

“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.