SCHEMBL2800560

SCHEMBL2800560

Cc1ccc(CC(CCNC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CTSS P25774 6/20 0.42
CTSK P43235 5/20 0.42
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL4729460 0.90 MEN1 (0.58) MEN1GAAKMT2ATDP1CTSS
SCHEMBL3668701 0.89 GAA (0.55) MEN1GAAKMT2APPARGPPARA
SCHEMBL24003388 0.83 MEN1 (0.69) MEN1GAAKMT2AMAPTTDP1
SCHEMBL9074865 0.83 MEN1 (0.69) MEN1GAAKMT2AMAPTTDP1
SCHEMBL2795545 0.82 KMT2A (0.64) MEN1GAAKMT2AMAPTTDP1
SCHEMBL9074547 0.81 MEN1 (0.62) MEN1GAAKMT2AMAPTTDP1
SCHEMBL12283041 0.78 NPC1 (0.60) KMT2AMAPTTDP1
SCHEMBL1915759 0.77 MME (0.48) MEN1KMT2APPARGPPARAALDH1A1
SCHEMBL26754203 0.77 MME (0.48) MEN1KMT2APPARGPPARAALDH1A1
Acetic Acid SCHEMBL8528143 0.77 NPC1 (0.56) KMT2AMAPTTDP1CTSKIDO1

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-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 EP disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 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 (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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MEN1 2997/4885GAA 2160/4885KMT2A 2166/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MEN1 2997/4885GAA 2160/4885KMT2A 2166/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MEN1 2997/4885GAA 2160/4885KMT2A 2166/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 MEN1 3226/4885GAA 3630/4885KMT2A 2116/4885

“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.