SCHEMBL7044240

SCHEMBL7044240

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCC(O)(CCc1ccccc1)C1=NCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.37
SLC1A1 P43005 1/20 0.37
MAPT P10636 1/20 0.37
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
KCNA5 P22460 2/20 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
SCHEMBL6467736 0.90 ALDH1A1 (0.36) MAPTMEN1KMT2ALMNAKCNA5
SCHEMBL7046555 0.85 SLC1A3 (0.36) SLC1A3SLC1A1MAPTMEN1KMT2A
SCHEMBL7049043 0.80 MAPT (0.38) SLC1A3SLC1A1MAPTLMNASMN1; SMN2
SCHEMBL7046326 0.79 MAPT (0.37) SLC1A3SLC1A1MAPTMMP2MMP3
SCHEMBL7147624 0.78 HDAC3 (0.39) SLC1A3SLC1A1MAPTLMNASMN1; SMN2
SCHEMBL7046317 0.76 SLC1A3 (0.39) SLC1A3SLC1A1MAPTMMP2MMP3
SCHEMBL7046404 0.76 MAPT (0.35) SLC1A3SLC1A1MAPTL3MBTL1KCNA5
SCHEMBL6467328 0.75 KMT2A (0.35) MAPTMEN1KMT2ALMNA
SCHEMBL7042863 0.74 KCNA5 (0.37) SLC1A3SLC1A1MAPTSMN1; SMN2KCNA5
SCHEMBL7046903 0.74 TBXA2R (0.35) MMP2MMP9MEN1KMT2ALMNA

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 SLC1A3 4389/4885SLC1A1 4414/4885MAPT 2414/4885

“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.