SCHEMBL635477

SCHEMBL635477

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34

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
SCHEMBL635478 1.00 NAAA (0.42) NAAANPSR1SMN1; SMN2CYP17A1CYP19A1
SCHEMBL635481 0.87 NAAA (0.41) NAAANPSR1CYP17A1CYP19A1CA2
SCHEMBL635480 0.87 NAAA (0.41) NAAANPSR1CYP17A1CYP19A1CA2
SCHEMBL15329358 0.76 NPSR1 (0.44) NAAANPSR1SMN1; SMN2CYP17A1CYP19A1
SCHEMBL10092274 0.74 CA2 (0.34) CA2
SCHEMBL636111 0.74 EPHX2 (0.55) SMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL636110 0.74 EPHX2 (0.55) SMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL7326205 0.74 ALDH1A1 (0.46) NAAANPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL10137325 0.72 CA2 (0.33) CYP19A1CA2
SCHEMBL5607976 0.71 NAAA (0.51) NAAANPSR1CYP19A1CA2MEN1

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 3368/4885NPSR1 4210/4885SMN1; 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.