SCHEMBL2189397

SCHEMBL2189397

CN(C(=O)OC(C)(C)C)C(Br)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
AKT1 P31749 2/20 0.44
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MMP13 P45452 1/20 0.42
CTRB1 P17538 1/20 0.42
ACE P12821 1/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
REN P00797 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
SLC7A5 Q01650 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
SCHEMBL12050814 0.85 BCHE (0.53) ATMITGA4ITGB7CTSSCTSL
SCHEMBL65502 0.84 MMP13 (0.46) ATMITGA4ITGB7CTSSCTSL
SCHEMBL2476924 0.84 MMP13 (0.46) ATMITGA4ITGB7CTSSCTSL
SCHEMBL1401042 0.84 MMP13 (0.46) ATMITGA4ITGB7CTSSCTSL
SCHEMBL8907586 0.82 L3MBTL1 (0.43) ATMITGA4ITGB7AKT1CTSS
SCHEMBL8164713 0.82 REN (0.48) ATMITGA4ITGB7AKT1CTSS
SCHEMBL2473923 0.82 ATM (0.43) ATMITGA4ITGB7AKT1CTSS
SCHEMBL27489128 0.82 ATM (0.43) ATMITGA4ITGB7AKT1CTSS
SCHEMBL6316889 0.82 ATM (0.43) ATMITGA4ITGB7AKT1CTSS
SCHEMBL6318226 0.81 REN (0.45) ATMITGA4ITGB7CTSSCTSL

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-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ATM 4869/4885ITGA4 3826/4885ITGB7 4714/4885

“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.