SCHEMBL636879

SCHEMBL636879

COC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CNR1 P21554 5/20 0.34
CNR2 P34972 5/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 2/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 1/20 0.32
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CMA1 P23946 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CTSF Q9UBX1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL636880 1.00 TRPA1 (0.37) TRPA1POLBSMN1; SMN2CNR1CNR2
SCHEMBL10107206 0.86 CTSK (0.37) TRPA1POLBSMN1; SMN2ALOX15TSHR
SCHEMBL635859 0.79 TRPA1 (0.39) TRPA1POLBSMN1; SMN2ELANENPC1
SCHEMBL14943545 0.79 TRPA1 (0.39) TRPA1POLBSMN1; SMN2ALOX15TSHR
SCHEMBL4372546 0.79 TRPA1 (0.39) TRPA1POLBSMN1; SMN2ELANENPC1
SCHEMBL635858 0.79 TRPA1 (0.39) TRPA1POLBSMN1; SMN2ELANENPC1
SCHEMBL12401122 0.78 TRPA1 (0.38) TRPA1POLBSMN1; SMN2ELANENPC1
SCHEMBL30170275 0.77 CNR1 (0.33) SMN1; SMN2CNR1CNR2
SCHEMBL8212605 0.77 SMN1; SMN2 (0.38) SMN1; SMN2CNR1CNR2KMT2A
SCHEMBL19174545 0.77 SMN1; SMN2 (0.38) SMN1; SMN2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086995-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-22 EP disclosed
EP-2086995-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-22 EP disclosed
US-7888464-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7888464-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7888464-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
EP-2086995-A1 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-12 EP disclosed
WO-2008064066-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO disclosed
WO-2008064066-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 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 (1 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-20090274648-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, PYGL TRPA1 4783/4885POLB 1458/4885SMN1; SMN2 4675/4885

“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.