SCHEMBL635480

SCHEMBL635480

COC(=O)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 5/20 0.39
GLA P06280 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
CYP17A1 P05093 2/20 0.35
CYP19A1 P11511 2/20 0.35
CA2 P00918 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL635481 1.00 NAAA (0.41) NAAAALDH1A1GLAITGB1ITGA4
SCHEMBL635478 0.87 NAAA (0.42) NAAAALDH1A1GLAITGB1ITGA4
SCHEMBL635477 0.87 NAAA (0.42) NAAAALDH1A1GLAITGB1ITGA4
SCHEMBL636701 0.77 EPHX2 (0.51) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL636702 0.77 EPHX2 (0.51) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL19174545 0.73 SMN1; SMN2 (0.38) CA2
SCHEMBL3125283 0.71 NPSR1 (0.47) NAAAALDH1A1GLACYP17A1CYP19A1
SCHEMBL5607976 0.70 NAAA (0.51) NAAAALDH1A1GLACYP19A1CA2
Ammonia Solution, Strong SCHEMBL28325233 0.70 NPSR1 (0.45) NAAAALDH1A1GLACYP17A1CYP19A1
SCHEMBL16731579 0.69 CYP19A1 (0.41) NAAAALDH1A1CYP17A1CYP19A1KMT2A

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 8 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
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
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 NAAA 3368/4885ALDH1A1 623/4885GLA 1870/4885

“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.