SCHEMBL2548860

SCHEMBL2548860

CC(C)(C)C1CC(c2ccc(Br)cc2)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RIPK1 Q13546 2/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PRCP P42785 2/20 0.36
USP5 P45974 1/20 0.36
BRD4 O60885 1/20 0.35
SLC18A3 Q16572 4/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL29136131 0.87 RIPK1 (0.49) BACE1ALDH1A1GAARIPK1SLC18A3
SCHEMBL9990026 0.86 MLYCD (0.38) ALDH1A1CYP2D6CYP2C9RIPK1SLC18A3
SCHEMBL16634470 0.85 DRD2 (0.40) BACE1RIPK1KDM1ASLC18A3PDE5A
SCHEMBL27150712 0.84 RIPK1 (0.35) BACE1ALDH1A1MAPTRIPK1SLC18A3
SCHEMBL3930659 0.84 TP53 (0.41) RIPK1PRCP
SCHEMBL6132569 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4GAACYP2C19HTT
SCHEMBL28532979 0.80 GPR119 (0.37) ALDH1A1MAPTRIPK1
SCHEMBL22117669 0.79 RAB9A (0.41) ALDH1A1CYP1A2CYP3A4GAACYP2D6
SCHEMBL19875598 0.79 SLC6A4 (0.39) CYP2C9RIPK1HRH3
SCHEMBL20448611 0.79 TRPC6 (0.40) CYP3A4HTTL3MBTL1RIPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481533-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 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 (2 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-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 BACE1 4568/4885ALDH1A1 2389/4885CYP1A2 1790/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 BACE1 4568/4885ALDH1A1 2389/4885CYP1A2 1790/4885

“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.