SCHEMBL2610758

SCHEMBL2610758

COC(=O)[C@@H]1C[C@@H](O)CN1B(C)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MMP2 P08253 3/20 0.42
ANPEP P15144 3/20 0.42
ATM Q13315 1/20 0.36
CYP3A4 P08684 5/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PEPD P12955 1/20 0.33
SCN9A Q15858 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2608451 1.00 ALDH1A1 (0.46) ALDH1A1MMP2ANPEPATMCYP3A4
SCHEMBL13661911 1.00 ALDH1A1 (0.46) ALDH1A1MMP2ANPEPATMCYP3A4
SCHEMBL16376157 1.00 ALDH1A1 (0.46) ALDH1A1MMP2ANPEPATMCYP3A4
SCHEMBL18084393 1.00 ALDH1A1 (0.46) ALDH1A1MMP2ANPEPATMCYP3A4
SCHEMBL26379162 0.86 PEPD (0.41) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL9969991 0.83 ALDH1A1 (0.40) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL13920579 0.82 KMT2A (0.34) ALDH1A1ATMCYP3A4MAPTMEN1
SCHEMBL13920501 0.82 DPP4 (0.35) ALDH1A1ATM
SCHEMBL18084388 0.81 MMP2 (0.38) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL12795646 0.81 MMP2 (0.38) ALDH1A1MMP2ANPEPPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312473-A1 PROCESS FOR THE PREPARATION OF BIHETEROARYL COMPOUNDS AND CRYSTAL FORMS THEREOF GENENTECH, INC. (US) 2023-10-05 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-8435984-B2 Tertiary amine substituted peptides useful as inhibitors of HCV replication ACHILLION PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20100292219-A1 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-7576089-B2 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION 2009-08-18 US disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 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 (4 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885MMP2 1627/4885ANPEP 1328/4885
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives TOMM70, TOMM34, TOMM40 ALDH1A1 4617/4885MMP2 1723/4885ANPEP 1528/4885
US-20100292219-A1 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION RTF2, RFC5, EIF2AK2 ALDH1A1 2021/4885MMP2 2521/4885ANPEP 64/4885
US-20230312473-A1 PROCESS FOR THE PREPARATION OF BIHETEROARYL COMPOUNDS AND CRYSTAL FORMS THEREOF NONO, PNPO, KMO ALDH1A1 1143/4885MMP2 4081/4885ANPEP 1905/4885

“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.