SCHEMBL7045317

SCHEMBL7045317

CC(C)CCN(C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc(C(=O)N2CCC(Cc3ccccc3)CC2)co1)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.37
MGLL Q99685 6/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK14 Q16539 2/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ADAM17 P78536 1/20 0.35
CTSK P43235 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
SCHEMBL7183270 0.80 MGLL (0.40) MEN1KMT2AMGLLCYP2C9CYP2C19
SCHEMBL7044813 0.79 KMT2A (0.34) KMT2AALDH1A1TSHR
SCHEMBL6061535 0.76 CTSK (0.51) CTSK
SCHEMBL6063101 0.75 CTSK (0.52) CTSK
SCHEMBL7201205 0.75 ALDH1A1 (0.37) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL7049041 0.75 ATM (0.38)
SCHEMBL7044233 0.74 ATM (0.35) ALDH1A1SMN1; SMN2CTSK
SCHEMBL7046552 0.74 ATM (0.33) SMN1; SMN2CTSK
SCHEMBL6463146 0.73 ATM (0.32) ALDH1A1SMN1; SMN2CTSK
SCHEMBL6063162 0.71 CTSL (0.45) CTSK

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 MEN1 4023/4885KMT2A 3705/4885POLB 3957/4885

“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.