SCHEMBL12752017

SCHEMBL12752017

CC(C)(C)OC(=O)N1[C@@H]2CC2C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GSK3B P49841 1/20 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
SCHEMBL10182417 1.00 KMT2A (0.41) KMT2ARAB9ANPC1HPGDLMNA
SCHEMBL15586735 1.00 KMT2A (0.41) KMT2ARAB9ANPC1HPGDLMNA
SCHEMBL15773712 1.00 KMT2A (0.41) KMT2ARAB9ANPC1HPGDLMNA
SCHEMBL754146 0.91 NPC1 (0.38) KMT2ARAB9ANPC1HPGDALDH1A1
SCHEMBL13046937 0.91 NPC1 (0.38) KMT2ARAB9ANPC1HPGDALDH1A1
SCHEMBL16020792 0.91 MAPT (0.40) KMT2ARAB9ANPC1HPGDLMNA
SCHEMBL16062577 0.91 MAPT (0.40) KMT2ARAB9ANPC1HPGDLMNA
SCHEMBL16948497 0.91 KMT2A (0.39) KMT2ARAB9ANPC1HPGDLMNA
SCHEMBL1294187 0.90 ALDH1A1 (0.34) KMT2ARAB9ANPC1HPGDKDM4E
SCHEMBL1294189 0.90 ALDH1A1 (0.34) KMT2ARAB9ANPC1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 — — US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 — — US disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — 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-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KMT2A 4287/4885RAB9A 1106/4885NPC1 191/4885

“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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