SCHEMBL859381

SCHEMBL859381

CC(C)[C@H](NC(=O)OC(C)(C)C)c1ncc(-c2ccc(Br)cc2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AAK1 Q2M2I8 5/20 0.42
▸ FPR2 P25090 2/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL857063 1.00 SSTR3 (0.47) SSTR3MEN1ALDH1A1TSHRMAPK1
SCHEMBL857062 1.00 SSTR3 (0.47) SSTR3MEN1ALDH1A1TSHRMAPK1
SCHEMBL13294146 0.93 SSTR3 (0.50) SSTR3AAK1TRPA1
SCHEMBL13758689 0.93 SSTR3 (0.50) SSTR3AAK1TRPA1
SCHEMBL13758829 0.93 SSTR3 (0.50) SSTR3AAK1TRPA1
SCHEMBL20054530 0.90 AAK1 (0.43) SSTR3MEN1ALDH1A1TSHRMAPK1
SCHEMBL15116724 0.90 AAK1 (0.43) SSTR3MEN1ALDH1A1TSHRMAPK1
SCHEMBL8752781 0.89 SSTR3 (0.48) SSTR3MEN1KMT2AAAK1FPR2
SCHEMBL13294212 0.89 SSTR3 (0.48) SSTR3MEN1KMT2AAAK1FPR2
SCHEMBL18480468 0.89 SSTR3 (0.58) SSTR3TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 — — US disclosed
CN-101998952-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2014-10-08 — — CN disclosed
EP-2250163-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-28 — — EP disclosed
CN-101998952-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-03-30 — — CN disclosed
EP-2250163-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-11-17 — — EP disclosed
US-7745636-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-29 — — US disclosed
US-7745636-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-29 — — US disclosed
WO-2009102318-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO disclosed
WO-2009102318-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 — — US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 — — 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 (2 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC SSTR3 4568/4885MEN1 4859/4885ALDH1A1 1148/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SSTR3 4672/4885MEN1 4867/4885ALDH1A1 1144/4885

“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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