SCHEMBL3035554

SCHEMBL3035554

CC(C)(C)C(N)C(=O)NCc1cccs1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
HPGD P15428 3/20 0.53
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
USP2 O75604 1/20 0.51
HDAC8 Q9BY41 1/20 0.50
CTSC P53634 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL8285113 1.00 POLB (0.58) POLBALDH1A1TSHRHPGDGAA
SCHEMBL20363266 0.80 GAA (0.63) POLBALDH1A1TSHRHPGDGAA
SCHEMBL1107021 0.80 GAA (0.62) POLBALDH1A1TSHRHPGDGAA
SCHEMBL10253878 0.78 GAA (0.60) POLBALDH1A1TSHRHPGDGAA
SCHEMBL17152584 0.78 TSHR (0.60) POLBALDH1A1TSHRHPGDGAA
SCHEMBL14949000 0.77 MAPT (0.59) POLBALDH1A1TSHRHPGDGAA
SCHEMBL1709286 0.76 POLB (0.62) POLBALDH1A1TSHRHPGDGAA
SCHEMBL13946518 0.75 KMT2A (0.54) ALDH1A1TSHRMAPTSMN1; SMN2KMT2A
SCHEMBL4057267 0.75 KMT2A (0.54) ALDH1A1TSHRMAPTSMN1; SMN2KMT2A
SCHEMBL4057261 0.75 KMT2A (0.54) ALDH1A1TSHRMAPTSMN1; SMN2KMT2A

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 POLB 3876/4885ALDH1A1 4288/4885TSHR 4702/4885
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 POLB 3342/4885ALDH1A1 4292/4885TSHR 4777/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 POLB 3758/4885ALDH1A1 3955/4885TSHR 4755/4885
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 POLB 3342/4885ALDH1A1 4292/4885TSHR 4777/4885
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 POLB 3425/4885ALDH1A1 4156/4885TSHR 4766/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 POLB 3342/4885ALDH1A1 4292/4885TSHR 4777/4885

“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.