Sugi Predict

Sugi Predict / Compounds / SCHEMBL12373556

SCHEMBL12373556

SCHEMBL12373556

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2cc(C#C[Si](C)(C)C)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRA6 Q16445 1/20 0.43
▸ GABRA4 P48169 1/20 0.42
▸ HCRTR1 O43613 10/20 0.41
▸ HCRTR2 O43614 10/20 0.41
▸ PTGES O14684 2/20 0.40
▸ PRCP P42785 1/20 0.39
▸ CHEK2 O96017 1/20 0.38

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
SCHEMBL12798471 0.93 HCRTR1 (0.44) HCRTR1HCRTR2PTGESPRCPCHEK2
SCHEMBL2708720 0.93 HCRTR1 (0.46) UCHL1GABRG2GABRB3GABRA5GABRA4
SCHEMBL203367 0.93 HCRTR1 (0.46) UCHL1GABRG2GABRB3GABRA5GABRA4
SCHEMBL12798768 0.92 HCRTR1 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL15987149 0.92 HCRTR1 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL15048040 0.91 CHEK2 (0.42) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL18462503 0.90 HCRTR1 (0.46) HCRTR1HCRTR2CHEK2
SCHEMBL2708020 0.90 HCRTR1 (0.46) HCRTR1HCRTR2CHEK2
SCHEMBL204745 0.88 HCRTR1 (0.45) HCRTR1HCRTR2CHEK2
SCHEMBL2707303 0.88 HCRTR1 (0.45) HCRTR1HCRTR2CHEK2

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-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 — — US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 — — US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 — — US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 — — US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 — — US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 — — 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 (3 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS UCHL1 405/4885GABRG2 3280/4885GABRB3 2346/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS UCHL1 405/4885GABRG2 3280/4885GABRB3 2346/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS UCHL1 405/4885GABRG2 3280/4885GABRB3 2346/4885

“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.