SCHEMBL1616351

SCHEMBL1616351

CC(C)C[C@H](CC(=O)O)CC(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 3/20 0.56
MMP8 P22894 2/20 0.55
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.51
ANPEP P15144 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MMP1 P03956 1/20 0.47
FCER2 P06734 1/20 0.47

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
SCHEMBL4976068 1.00 MEN1 (0.56) MEN1KMT2AHPGDMMP8ALDH1A1
SCHEMBL338918 0.89 MMP8 (0.54) MEN1KMT2AHPGDMMP8ALDH1A1
SCHEMBL17710657 0.86 MEN1 (0.53) MEN1KMT2AHPGDMMP8ALDH1A1
SCHEMBL18426210 0.86 KMT2A (0.58) MEN1KMT2AHPGDMMP8ALDH1A1
SCHEMBL5866871 0.82 ALDH1A1 (0.71) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL22247521 0.82 EPHX2 (0.52) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL17722006 0.79 REN (0.48) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL3872511 0.78 KMT2A (0.55) MEN1KMT2AHPGDMMP8ALDH1A1
SCHEMBL2299158 0.78 MEN1 (0.55) MEN1KMT2AHPGDMMP8ALDH1A1
SCHEMBL21233937 0.78 MEN1 (0.65) MEN1KMT2AHPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851651-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-12-14 US claimed
EP-1841726-B1 AN ASYMMETRIC SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID TEVA PHARMA (IL) 2012-10-31 EP disclosed
US-8212071-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-07-03 US disclosed
US-7973196-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-07-05 US disclosed
US-7960583-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-06-14 US disclosed
US-7923575-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2011-04-12 US disclosed
US-20100324307-A1 NOVEL ASYMMETRIC SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID KANSAL VINOD KUMAR 2010-12-23 US disclosed
US-7851651-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-12-14 US disclosed
US-20100081841-A1 Novel asymmetric synthesis of (s)-(+)-3-(AMINOMETHYL)-5- methylhexanoic acid KANSAL VINOD KUMAR 2010-04-01 US disclosed
US-7687656-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-03-30 US disclosed
US-7586005-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-09-08 US disclosed
US-20090069578-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid KANSAL VINOD KUMAR 2009-03-12 US disclosed
US-20090069596-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid KANSAL VINOD KUMAR 2009-03-12 US disclosed
US-20090069600-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid KANSAL VINOD KUMAR 2009-03-12 US disclosed
US-20090069593-A1 intermediates for synthesis of (S)-Pregabalin; anticonvulsants; crystalline form KANSAL VINOD KUMAR 2009-03-12 US disclosed
US-20090062562-A1 Novel asymmetric synthesis of (S)-(+)-3-(Aminomethyl)-5-methylhexanoic acid KANSAL VINOD KUMAR 2009-03-05 US disclosed
US-7446220-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-11-04 US disclosed
US-20070197827-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-23 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 (8 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-20070197827-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE MEN1 3041/4885KMT2A 1689/4885HPGD 959/4885
US-20090069593-A1 intermediates for synthesis of (S)-Pregabalin; anticonvulsants; crystalline form GABRE, GABRA5, GABRA6 MEN1 3106/4885KMT2A 2881/4885HPGD 460/4885
US-20090069596-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE MEN1 3041/4885KMT2A 1689/4885HPGD 959/4885
US-20100081841-A1 Novel asymmetric synthesis of (s)-(+)-3-(AMINOMETHYL)-5- methylhexanoic acid RIMKLA, COASY, GABRE MEN1 3041/4885KMT2A 1689/4885HPGD 959/4885
US-20100324307-A1 NOVEL ASYMMETRIC SYNTHESIS OF (S)-(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID RIMKLA, COASY, GABRE MEN1 3041/4885KMT2A 1689/4885HPGD 959/4885
US-20090062562-A1 Novel asymmetric synthesis of (S)-(+)-3-(Aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE MEN1 3041/4885KMT2A 1689/4885HPGD 959/4885
US-20090069578-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE MEN1 3041/4885KMT2A 1689/4885HPGD 959/4885
US-20090069600-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE MEN1 3041/4885KMT2A 1689/4885HPGD 959/4885

“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.