SCHEMBL2797341

SCHEMBL2797341

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.52
SERPINE1 P05121 1/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
CTSB P07858 1/20 0.38
AKR1B1 P15121 2/20 0.38
SYK P43405 1/20 0.37
IDO1 P14902 1/20 0.37
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL2799308 0.91 AAK1 (0.52) AAK1SERPINE1CTSSCTSKCTSB
SCHEMBL18170221 0.81 AAK1 (0.52) AAK1CTSSCTSKCTSB
SCHEMBL28340282 0.81 AAK1 (0.52) AAK1CTSSCTSKCTSB
SCHEMBL506329 0.80 AAK1 (0.50) AAK1AKR1B1
SCHEMBL19428705 0.79 AAK1 (0.46) AAK1USP30
SCHEMBL15092577 0.79 AAK1 (0.53) AAK1SERPINE1CTSSCTSKCTSB
SCHEMBL29784722 0.79 AAK1 (0.53) AAK1SERPINE1CTSSCTSKCTSB
SCHEMBL15092576 0.79 AAK1 (0.53) AAK1SERPINE1CTSSCTSKCTSB
SCHEMBL2552330 0.78 AAK1 (0.50) AAK1IDO1
SCHEMBL21029463 0.78 AAK1 (0.43) AAK1USP30

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 AAK1 382/4885SERPINE1 3387/4885CTSS 3033/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AAK1 382/4885SERPINE1 3387/4885CTSS 3033/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 AAK1 382/4885SERPINE1 3387/4885CTSS 3033/4885
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 365/4885SERPINE1 1353/4885CTSS 2644/4885

“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.