SCHEMBL3507239

SCHEMBL3507239

O=C(O)NCCC(O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 3/20 0.49
ANPEP P15144 2/20 0.49
RNPEP Q9H4A4 2/20 0.49
DNPEP Q9ULA0 2/20 0.49
TRPA1 O75762 1/20 0.47
CNR1 P21554 1/20 0.46
CYP1A2 P05177 3/20 0.46
TSHR P16473 3/20 0.45
CYP3A4 P08684 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
SRR Q9GZT4 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2C9 P11712 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL6328437 0.90 MMP8 (0.46) LAP3ANPEPRNPEPDNPEPTRPA1
SCHEMBL16333820 0.88 MMP8 (0.44) LAP3ANPEPRNPEPDNPEPTRPA1
SCHEMBL893147 0.84 TSHR (0.50) CNR1TSHRL3MBTL1CYP2D6CYP2C19
SCHEMBL2636331 0.81 TRPA1 (0.50) TRPA1CYP1A2TSHRCYP2D6CYP2C19
SCHEMBL3508825 0.81 MMP2 (0.55) LAP3ANPEPRNPEPDNPEP
SCHEMBL5065712 0.80 ALDH1A1 (0.51)
SCHEMBL5105980 0.78 TRPA1 (0.52) TRPA1CYP1A2SRR
SCHEMBL22412962 0.76 CYP2D6 (0.40) ANPEPDNPEPCNR1CYP2D6CYP2C19
SCHEMBL6495924 0.76 CPA3 (0.65) TRPA1CYP1A2TSHRCYP2D6CYP2C19
SCHEMBL6502909 0.76 CPA3 (0.65) TRPA1CYP1A2TSHRCYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287561-A1 Inhibitors of AKT Activity NOVARTIS AG (CH) 2016-10-06 US disclosed
US-8946278-B2 Inhibitors of AkT activity GLAXOSMITHKLINE LLC (US) 2015-02-03 US disclosed
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY GLAXOSMITHKLINE LLC (US) 2013-09-05 US disclosed
US-8410158-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 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 (5 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-20100267759-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 LAP3 2799/4885ANPEP 2635/4885RNPEP 2472/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 LAP3 2799/4885ANPEP 2635/4885RNPEP 2472/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 LAP3 2799/4885ANPEP 2635/4885RNPEP 2472/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 LAP3 2799/4885ANPEP 2635/4885RNPEP 2472/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 LAP3 2799/4885ANPEP 2635/4885RNPEP 2472/4885

“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.