SCHEMBL851262

SCHEMBL851262

CC(C)(C)OC(=O)NCc1ccc(Oc2cc(O)cc(C(=O)N3CCCC4CCCCC43)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.45
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR2 P34972 1/20 0.41
HRH3 Q9Y5N1 3/20 0.38
ROCK2 O75116 1/20 0.38
HSD17B1 P14061 1/20 0.38
HDAC1 Q13547 2/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL851313 0.90 HSD11B1 (0.42) HSD11B1POLBTDP1CNR2HRH3
SCHEMBL8509247 0.88 HSD11B1 (0.43) HSD11B1POLBTDP1CNR2HRH3
SCHEMBL8509602 0.82 POLB (0.45) HSD11B1POLBTDP1CNR2HSD17B1
SCHEMBL852009 0.81 ROCK2 (0.38) HRH3ROCK2HDAC1NAMPTALDH1A1
SCHEMBL851687 0.80 PRSS1 (0.46) CNR2HDAC1NAMPTALDH1A1LMNA
SCHEMBL851618 0.78 ALDH1A1 (0.47) POLBNAMPTALDH1A1MEN1KMT2A
SCHEMBL861713 0.77 PRSS1 (0.43) HDAC1NAMPTALDH1A1MEN1KMT2A
SCHEMBL852153 0.77 POLB (0.46) HSD11B1POLBTDP1CNR2HSD17B1
SCHEMBL852195 0.77 ST14 (0.51) HDAC1NAMPTF2PLGPRSS1
SCHEMBL3794405 0.76 ST14 (0.48) HDAC1NAMPTF2PLGPRSS1

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 HSD11B1 1186/4885POLB 1970/4885TDP1 715/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 HSD11B1 1186/4885POLB 1970/4885TDP1 715/4885

“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.