SCHEMBL67697

SCHEMBL67697

CC(C)(C)N(Cc1cccc(Br)n1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.37
PTGER2 P43116 6/20 0.36
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GRM5 P41594 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT2 Q8IXJ6 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
SCHEMBL3510911 0.84 HSP90AB1 (0.41) MEN1KMT2ALMNAALDH1A1FAAH
SCHEMBL946099 0.83 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL3511520 0.81 FAAH (0.36) MEN1KMT2ALMNAALDH1A1FAAH
SCHEMBL3669973 0.80 HPGD (0.40) MEN1KMT2AALDH1A1FAAHHPGD
SCHEMBL7239149 0.78 SIRT2 (0.32) FAAHPTGER2SIRT2
SCHEMBL22366419 0.75 CYP1A2 (0.49) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL7246524 0.74 CHRNB2 (0.30)
SCHEMBL2099348 0.73 ALDH1A1 (0.41) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL3511518 0.72 HTR2C (0.45)
SCHEMBL17601006 0.72 MEN1 (0.36) MEN1KMT2ALMNAALDH1A1HTT

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
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 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-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGB5 MEN1 2487/4885KMT2A 4266/4885LMNA 1049/4885

“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.