SCHEMBL7044868

SCHEMBL7044868

CC(=O)NC(CC(=O)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
EPHX2 P34913 2/20 0.36
TSHR P16473 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX5 P09917 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
XDH P47989 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HTT P42858 1/20 0.33
FASN P49327 1/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL7182965 0.93 KMT2A (0.36) LMNAMAPTEPHX2TSHRKMT2A
SCHEMBL7047004 0.90 MAPT (0.34) LMNAMAPTTSHRKMT2AALOX5
SCHEMBL6464160 0.86 LMNA (0.39) LMNAMAPTEPHX2TSHRKMT2A
SCHEMBL7048374 0.85 POLB (0.38) EPHX2
SCHEMBL7045897 0.83 EPHX2 (0.38) EPHX2TSHRKMT2ASMN1; SMN2NPC1
SCHEMBL6463625 0.83 KCNJ6 (0.36) EPHX2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7045443 0.81 MEN1 (0.45) LMNAMAPTEPHX2TSHRKMT2A
SCHEMBL6466282 0.80 LMNA (0.39) LMNAMAPTEPHX2TSHRKMT2A
SCHEMBL7042874 0.80 CNR2 (0.37) LMNAMAPTTSHRSMN1; SMN2XDH
SCHEMBL6467037 0.78 FAAH (0.36) LMNAMAPTTSHRKMT2AMEN1

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ LMNA 1755/4885MAPT 2414/4885EPHX2 696/4885

“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.