SCHEMBL851611

SCHEMBL851611

N=C(NO)c1ccccc1Oc1cc(Oc2ccccc2C(=N)NO)cc(C(=O)N2CCCC3CCCCC32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.46
HSD17B1 P14061 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
F2 P00734 2/20 0.42
PLG P00747 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CNR2 P34972 1/20 0.38
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 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
SCHEMBL850888 0.83 POLB (0.44) HSD11B1HSD17B1POLBTDP1F2
SCHEMBL3789383 0.80 F2 (0.48) HSD11B1HSD17B1POLBTDP1F2
SCHEMBL851599 0.72 POLB (0.49) HSD11B1HSD17B1POLBTDP1F2
SCHEMBL8509247 0.72 HSD11B1 (0.43) HSD11B1HSD17B1POLBTDP1F2
SCHEMBL861469 0.70 ST14 (0.61) HSD11B1F2PLGPRSS1PRSS2
SCHEMBL11019763 0.70 HSD11B1 (0.67) HSD11B1HSD17B1POLBTDP1NPC1
SCHEMBL3456153 0.70 HSD11B1 (0.67) HSD11B1HSD17B1POLBTDP1NPC1
SCHEMBL10895329 0.70 HSD11B1 (0.67) HSD11B1HSD17B1POLBTDP1NPC1
SCHEMBL851311 0.68 PRSS1 (0.77) F2PLGPRSS1PRSS2PRSS3
SCHEMBL16759939 0.67 HSD11B1 (0.58) HSD11B1HSD17B1POLBTDP1ALDH1A1

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 1186/4885HSD17B1 1075/4885POLB 1970/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 HSD11B1 1186/4885HSD17B1 1075/4885POLB 1970/4885

“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.