SCHEMBL6009494

SCHEMBL6009494

CC(C)(C)OC(=O)NC(CCBr)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
CTSS P25774 6/20 0.44
CTSK P43235 5/20 0.44
APP P05067 3/20 0.43
ACACB O00763 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
SCN9A Q15858 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CYP3A4 P08684 4/20 0.40
ACE P12821 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
SCHEMBL12766379 0.90 PPARG (0.49) ATMCTSSCTSKAPPCTSL
SCHEMBL5755466 0.90 ATM (0.53) ATMCTSSCTSKAPPACACB
SCHEMBL7247825 0.87 ATM (0.67) ATMCTSSCTSKAPPCTSL
SCHEMBL7247824 0.87 ATM (0.67) ATMCTSSCTSKAPPCTSL
SCHEMBL7356988 0.85 ATM (0.54) ATMCTSSCTSKAPPACACB
SCHEMBL742806 0.83 ATM (0.55) ATMCTSSCTSKAPPCTSL
SCHEMBL29163534 0.83 ATM (0.55) ATMCTSSCTSKAPPCTSL
SCHEMBL742805 0.83 ATM (0.55) ATMCTSSCTSKAPPCTSL
SCHEMBL15159951 0.81 ATM (0.73) ATMCTSSCTSKAPPCTSL
SCHEMBL31583937 0.81 CTSS (0.58) ATMCTSSCTSKAPPCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US disclosed
US-20030105079-A1 Novel phenylalkyl diamine and amide analogs SK BIOPHARMACEUTICALS CO., LTD. (KR) 2003-06-05 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 (1 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-20030105079-A1 Novel phenylalkyl diamine and amide analogs SIGMAR1, TAAR1, OPRL1 ATM 3190/4885CTSS 4613/4885CTSK 4744/4885

“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.