SCHEMBL2799308

SCHEMBL2799308

CC(C)(C)OC(=O)NCC(Cc1ccc(Br)cc1F)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.52
CTSS P25774 4/20 0.41
CTSK P43235 4/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSB P07858 1/20 0.40
AKR1B1 P15121 2/20 0.40
BMP1 P13497 1/20 0.37
SYK P43405 1/20 0.37
SERPINE1 P05121 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL2797341 0.91 AAK1 (0.52) AAK1CTSSCTSKCTSBAKR1B1
SCHEMBL16447830 0.81 CTSS (0.53) AAK1CTSSCTSKCTSBPTPN1
SCHEMBL16064072 0.81 CTSS (0.53) AAK1CTSSCTSKCTSBPTPN1
SCHEMBL3697318 0.81 CTSS (0.56) AAK1CTSSCTSKMEN1GAA
SCHEMBL506329 0.80 AAK1 (0.50) AAK1AKR1B1
SCHEMBL15092576 0.79 AAK1 (0.53) AAK1CTSSCTSKCTSBSERPINE1
SCHEMBL15092577 0.79 AAK1 (0.53) AAK1CTSSCTSKCTSBSERPINE1
SCHEMBL29784722 0.79 AAK1 (0.53) AAK1CTSSCTSKCTSBSERPINE1
SCHEMBL2552330 0.78 AAK1 (0.50) AAK1MEN1KMT2A
SCHEMBL2789831 0.77 AAK1 (0.55) AAK1CTSSCTSKCTSBPTPN1

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-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
EP-1820798-B1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF DAIICHI SANKYO CO LTD (JP) 2012-08-22 EP 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 AAK1 382/4885CTSS 3033/4885CTSK 2376/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AAK1 382/4885CTSS 3033/4885CTSK 2376/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AAK1 382/4885CTSS 3033/4885CTSK 2376/4885
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 AAK1 365/4885CTSS 2644/4885CTSK 1520/4885

“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.