SCHEMBL3046964

SCHEMBL3046964

CC(C)C(N)C(=O)NCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
EPHX1 P07099 3/20 0.49
CYP2D6 P10635 1/20 0.49
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
EPHX2 P34913 1/20 0.44
ARG1 P05089 2/20 0.44
ARG2 P78540 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3224826 1.00 TSHR (0.49) TSHREPHX1CYP2D6ALDH1A1CA12
SCHEMBL16559588 0.91 ARG1 (0.50) TSHREPHX1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL12310946 0.91 ARG1 (0.50) TSHREPHX1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL27770664 0.86 EPHX1 (0.52) TSHREPHX1CYP2D6ALDH1A1CA12
SCHEMBL3220227 0.86 EPHX1 (0.52) TSHREPHX1CYP2D6ALDH1A1CA12
SCHEMBL8597460 0.82 KMT2A (0.54) ALDH1A1SMN1; SMN2ARG1ARG2TDP1
SCHEMBL13581 0.82 EPHX1 (0.55) TSHREPHX1CYP2D6ALDH1A1CA12
SCHEMBL19652274 0.82 EPHX1 (0.55) TSHREPHX1CYP2D6ALDH1A1CA12
SCHEMBL19974929 0.81 METAP2 (0.48) TSHREPHX1CYP2D6ALDH1A1CA12
SCHEMBL22522261 0.80 TSHR (0.47) TSHREPHX1CYP2D6ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713822-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 EP disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
CN-101583599-A N-hydroxyacrylamide compounds ASTELLAS PHARMA INC (JP) 2009-11-18 CN disclosed
US-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 US disclosed
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 US disclosed
EP-1713822-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 EP disclosed
WO-2005073216-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 (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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 TSHR 4702/4885EPHX1 866/4885CYP2D6 1246/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 TSHR 4755/4885EPHX1 1117/4885CYP2D6 2171/4885

“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.