SCHEMBL7044813

SCHEMBL7044813

CC(C)CCN(C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc(C(=O)N(C)c2ccco2)co1)C(=O)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
ABCB1 P08183 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
CYP3A4 P08684 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30

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
SCHEMBL7049295 0.79 DAGLA (0.41) KMT2ADAGLA
SCHEMBL7045317 0.79 MEN1 (0.38) KMT2AALDH1A1TSHR
SCHEMBL7049041 0.77 ATM (0.38) ATMCYP3A4
SCHEMBL7044233 0.73 ATM (0.35) ALDH1A1ATMCTSLCTSB
SCHEMBL7046552 0.73 ATM (0.33) ATMCTSLCTSB
SCHEMBL7147621 0.73 HDAC3 (0.45) KMT2AALDH1A1TSHRCYP3A4
SCHEMBL6463773 0.72 DAGLA (0.34) KMT2ADAGLA
SCHEMBL7045360 0.72 CYP3A4 (0.38) ATMCYP3A4
SCHEMBL7046608 0.71 CTSL (0.49) CTSLCTSB
SCHEMBL6465469 0.71 PPARG (0.35) KMT2ADAGLATSHR

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 KMT2A 3705/4885ALDH1A1 3027/4885GAA 292/4885

“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.