Sugi Predict

Sugi Predict / Compounds / SCHEMBL10201534

SCHEMBL10201534

SCHEMBL10201534

Cc1c(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cccc1-c1ncc(-c2ccc3[nH]c([C@@H]4CCCN4C(=O)OC(C)(C)C)nc3c2)o1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PTGES O14684 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HCRTR1 O43613 3/20 0.39
▸ HCRTR2 O43614 3/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ UCHL1 P09936 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ SIRT2 Q8IXJ6 2/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL10200301 0.89 LMNA (0.53) USP30MEN1KMT2ALMNANPSR1
SCHEMBL12406270 0.87 USP30 (0.48) USP30MEN1KMT2ALMNANPSR1
SCHEMBL12405128 0.87 USP30 (0.48) USP30MEN1KMT2ALMNANPSR1
SCHEMBL10200300 0.87 NPC1 (0.49) USP30MEN1KMT2ALMNANPSR1
SCHEMBL12403432 0.87 LMNA (0.43) USP30MEN1KMT2ALMNANPSR1
SCHEMBL2778614 0.86 HCRTR1 (0.43) PTGESHCRTR1HCRTR2
SCHEMBL2778611 0.86 HCRTR1 (0.43) PTGESHCRTR1HCRTR2
SCHEMBL2778618 0.86 HCRTR1 (0.43) PTGESHCRTR1HCRTR2
SCHEMBL19488885 0.85 MEN1 (0.41) USP30MEN1KMT2ALMNANPSR1
SCHEMBL3045654 0.84 HCRTR1 (0.40) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 — — US disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 — — WO disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 — — WO disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 — — 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 USP30 2534/4885MEN1 4867/4885KMT2A 4516/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885MEN1 4867/4885KMT2A 4516/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885MEN1 4867/4885KMT2A 4516/4885

“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.