SCHEMBL3039993

SCHEMBL3039993

CN(C(=O)CNC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.43
PYGL P06737 4/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.39
PRMT3 O60678 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BTK Q06187 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3039099 0.84 CTSS (0.42) EPHX1ALDH1A1KMT2APYGLGAA
SCHEMBL3037258 0.84 CTSS (0.42) EPHX1ALDH1A1KMT2APYGLGAA
SCHEMBL16530174 0.82 KMT2A (0.41) EPHX1ALDH1A1KMT2AMEN1TSHR
SCHEMBL15363245 0.82 KMT2A (0.41) EPHX1ALDH1A1KMT2AMEN1TSHR
SCHEMBL5804741 0.80 CA12 (0.41) EPHX1ALDH1A1KMT2AMEN1TSHR
SCHEMBL2273893 0.78 EPHX1 (0.42) EPHX1ALDH1A1KMT2AMEN1TSHR
SCHEMBL4405382 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1PYGLHPGD
SCHEMBL6896596 0.77 EPHX1 (0.56) EPHX1KMT2AMEN1GAACTSS
SCHEMBL1328516 0.76 TDP1 (0.46) EPHX1ALDH1A1KMT2AMEN1TSHR
SCHEMBL923552 0.75 EPHX1 (0.54) EPHX1ALDH1A1KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 US disclosed
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-07-01 US disclosed
EP-1713822-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 EP disclosed
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 US disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
EP-1713823-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-11-11 EP disclosed
US-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 US disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 US disclosed
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 US disclosed
EP-1713823-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 EP disclosed
WO-2005073195-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 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 (6 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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 EPHX1 866/4885ALDH1A1 4288/4885KMT2A 4582/4885
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 EPHX1 1839/4885ALDH1A1 4292/4885KMT2A 4532/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 EPHX1 1117/4885ALDH1A1 3955/4885KMT2A 4573/4885
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 EPHX1 1839/4885ALDH1A1 4292/4885KMT2A 4532/4885
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 EPHX1 2385/4885ALDH1A1 4156/4885KMT2A 4235/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 EPHX1 1839/4885ALDH1A1 4292/4885KMT2A 4532/4885

“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.