SCHEMBL6465745

SCHEMBL6465745

O=C(CCC1CCCCC1)N[C@@H](CCc1ccccc1)C(O)c1nc2cc(Cl)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGES O14684 6/20 0.37
PTGS2 P35354 4/20 0.37
CETP P11597 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
USP30 Q70CQ3 1/20 0.36
CTSB P07858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
XDH P47989 1/20 0.35

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
SCHEMBL6473321 0.90 MEN1 (0.40) KMT2ALMNACTSLCTSSSMN1; SMN2
SCHEMBL6463649 0.90 MEN1 (0.40) KMT2ALMNACTSLCTSSSMN1; SMN2
SCHEMBL6466336 0.89 MEN1 (0.40) KMT2ALMNACTSLCTSSSMN1; SMN2
SCHEMBL7186564 0.89 MMP1 (0.39) KMT2ACTSLCTSSPTGESMEN1
SCHEMBL7042906 0.87 DAGLA (0.46) KMT2ALMNASMN1; SMN2MEN1RAB9A
SCHEMBL6465251 0.85 LMNA (0.40) KMT2ALMNACTSLCTSSTP53
SCHEMBL7045308 0.83 CTSS (0.49) KMT2ALMNACTSLCTSSTP53
SCHEMBL7047598 0.83 CTSL (0.40) KMT2ALMNACTSLCTSSTP53
SCHEMBL7723017 0.78 LMNA (0.45) KMT2ALMNACTSLTP53SMN1; SMN2
SCHEMBL6473243 0.78 BMP1 (0.41) KMT2ACTSLCTSSSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
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 KMT2A 3705/4885LMNA 1755/4885CTSL 18/4885

“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.