SCHEMBL1903239

SCHEMBL1903239

COC(=O)[C@@H]1CCCN1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.42
FKBP1A P62942 1/20 0.41
POLB P06746 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.37
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
CTSK P43235 2/20 0.37
PEPD P12955 2/20 0.36
XPNPEP1 Q9NQW7 1/20 0.36
BTK Q06187 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL30388232 0.86 HSD17B10 (0.44) KLK5CA1CA2NPC1SMN1; SMN2
SCHEMBL1907844 0.86 HSD17B10 (0.44) KLK5CA1CA2NPC1SMN1; SMN2
SCHEMBL29689842 0.78 CTSK (0.41) CA1CA2HSD17B10CTSKBTK
SCHEMBL3604405 0.78 HSD17B10 (0.41) KLK5CA1CA2NPC1SMN1; SMN2
SCHEMBL5056535 0.78 HSD17B10 (0.41) KLK5CA1CA2NPC1SMN1; SMN2
SCHEMBL29496710 0.76 HSD17B10 (0.40) FKBP1APOLBCA1CA2NPC1
SCHEMBL3413490 0.76 CA1 (0.39) CA1CA2CTSKBTKMEN1
SCHEMBL22887890 0.76 CA1 (0.39) CA1CA2CTSKBTKMEN1
SCHEMBL3411401 0.76 CA1 (0.39) CA1CA2CTSKBTKMEN1
SCHEMBL3411407 0.76 CA1 (0.39) CA1CA2CTSKBTKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316839-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-05-04 EP disclosed
US-7642339-B2 Hepatitis C; 1-benzyloxycarbonylamino-2-vinyl-cyclopropyl)-phenyl-phosphinic acid ethyl ester GILEAD SCIENCES, INC. (US) 2010-01-05 US disclosed
US-20080311077-A1 Antiviral Compounds GILEAD SCIENCES, INC. 2008-12-18 US disclosed
US-20060122123-A1 Antiviral compounds GILEAD SCIENCES, INC. 2006-06-08 US 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-20080311077-A1 Antiviral Compounds EIF2AK2, MAVS, ITPA KLK5 3630/4885FKBP1A 2074/4885POLB 46/4885
US-20060122123-A1 Antiviral compounds EIF2AK2, MAVS, ITPA KLK5 3630/4885FKBP1A 2074/4885POLB 46/4885

“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.