SCHEMBL13639050

SCHEMBL13639050

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OC(CC(O)O)C(=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ UCHL1 P09936 2/20 0.46
▸ KLK7 P49862 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ USP30 Q70CQ3 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL10201472 0.90 NPC1 (0.48) NPC1UCHL1KLK7KMT2AUSP30
SCHEMBL10182263 0.87 NPC1 (0.46) NPC1UCHL1KLK7KMT2AUSP30
SCHEMBL13635827 0.86 NPC1 (0.45) NPC1UCHL1KLK7KMT2AUSP30
SCHEMBL3392488 0.85 UCHL1 (0.46) NPC1UCHL1KLK7KMT2AUSP30
SCHEMBL10121193 0.85 NPC1 (0.51) NPC1UCHL1KLK7KMT2AUSP30
SCHEMBL19488759 0.85 NPC1 (0.43) NPC1UCHL1KLK7KMT2AUSP30
SCHEMBL692265 0.82 KMT2A (0.48) NPC1UCHL1KLK7KMT2AUSP30
SCHEMBL692266 0.82 KMT2A (0.48) NPC1UCHL1KLK7KMT2AUSP30
SCHEMBL12159690 0.81 NPC1 (0.50) NPC1UCHL1KLK7KMT2AUSP30
SCHEMBL14037470 0.79 NPC1 (0.58) NPC1UCHL1KMT2AUSP30LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — 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 (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-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NPC1 65/4885UCHL1 405/4885KLK7 3500/4885

“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.

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