SCHEMBL7049752

SCHEMBL7049752

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCCC(C(=O)c1nc2cc(Cl)ccc2o1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CETP P11597 2/20 0.40
XDH P47989 1/20 0.39
ELANE P08246 2/20 0.39
CASP3 P42574 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR2 O15552 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A1 P43005 1/20 0.35
MAPT P10636 1/20 0.35
CMA1 P23946 1/20 0.35
ATM Q13315 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 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
SCHEMBL7046968 0.90 ELANE (0.44) LMNAL3MBTL1XDHELANESMN1; SMN2
SCHEMBL6464575 0.89 LMNA (0.44) KMT2ALMNACETPXDHCASP3
SCHEMBL7045499 0.85 ELANE (0.43) XDHELANESLC1A3SLC1A1MAPT
SCHEMBL7183396 0.81 CTSS (0.44) KMT2ALMNACASP3SMN1; SMN2FFAR2
SCHEMBL7049761 0.81 ELANE (0.46) LMNAL3MBTL1XDHELANESMN1; SMN2
SCHEMBL6063445 0.81 PTGER4 (0.47) KMT2ALMNAMEN1L3MBTL1TP53
SCHEMBL7186575 0.80 CACNA1H (0.37) KMT2ALMNAMEN1L3MBTL1SLC1A3
SCHEMBL7047980 0.80 TBXA2R (0.37) KMT2ALMNAMEN1L3MBTL1SMN1; SMN2
SCHEMBL7046461 0.79 ELANE (0.43) XDHELANESLC1A3SLC1A1ATM
SCHEMBL7046917 0.79 HDAC1 (0.40) LMNAL3MBTL1SMN1; SMN2SLC1A3SLC1A1

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 1 patent. 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

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 1755/4885MEN1 4023/4885

“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.