SCHEMBL4859984

SCHEMBL4859984

CC(C)(C)OC(=O)N[C@H](CO)Cc1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.61
CTSK P43235 5/20 0.61
CTSB P07858 3/20 0.61
ATM Q13315 1/20 0.53
AAK1 Q2M2I8 5/20 0.47
CTSL P07711 2/20 0.45
APP P05067 3/20 0.44
ACE P12821 1/20 0.44
SYK P43405 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4859989 1.00 CTSS (0.61) CTSSCTSKCTSBATMAAK1
SCHEMBL5063200 0.88 CTSS (0.62) CTSSCTSKCTSBATMAAK1
SCHEMBL30597876 0.88 CTSS (0.62) CTSSCTSKCTSBATMAAK1
SCHEMBL4860365 0.88 CTSS (0.62) CTSSCTSKCTSBATMAAK1
SCHEMBL4598553 0.87 CTSS (0.58) CTSSCTSKCTSBATMAAK1
SCHEMBL6835384 0.86 ATM (0.54) CTSSCTSKCTSBATMCTSL
SCHEMBL6835385 0.86 ATM (0.54) CTSSCTSKCTSBATMCTSL
SCHEMBL14870431 0.85 ATM (0.53) CTSSCTSKCTSBATMCTSL
SCHEMBL13905628 0.85 CTSL (0.61) CTSSCTSKCTSBATMCTSL
SCHEMBL28652921 0.85 ATM (0.53) CTSSCTSKCTSBATMCTSL

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 US disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
WO-2013056015-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 WO disclosed
US-7470696-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470696-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
EP-1381598-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-19 EP disclosed
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20040180897-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
WO-2004063151-A2 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 WO disclosed
US-20040092514-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-05-13 US disclosed
WO-2004030620-A2 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 US disclosed
EP-1381598-A1 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-21 EP disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO disclosed
WO-2002079192-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 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-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS MTOR, PDPK1, PIK3CA CTSS 3919/4885CTSK 2086/4885CTSB 3456/4885
US-20040180897-A1 Novel tyrosine kinase inhibitors ABL1, ROS1, YES1 CTSS 3168/4885CTSK 1189/4885CTSB 3109/4885
US-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER CTSS 2718/4885CTSK 931/4885CTSB 2861/4885
US-20040092514-A1 Novel tyrosine kinase inhibitors ABL1, ERBB2, ROS1 CTSS 2408/4885CTSK 909/4885CTSB 2220/4885

“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.