SCHEMBL6464329

SCHEMBL6464329

COC(=O)c1coc(C(O)CCC(NC(=O)OCc2ccccc2)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
TACR1 P25103 1/20 0.44
CYP3A4 P08684 7/20 0.40
CYP2C9 P11712 6/20 0.40
CYP2C19 P33261 6/20 0.40
TSHR P16473 5/20 0.40
CYP1A2 P05177 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 3/20 0.40
POLB P06746 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL6464323 0.80 DAGLA (0.45) ATMDAGLACTSLCTSS
SCHEMBL6463454 0.78 HDAC1 (0.43) ALDH1A1DAGLAHSD17B10HDAC1HDAC8
SCHEMBL7042160 0.77 BMP1 (0.40) ALDH1A1DAGLASMN1; SMN2MEN1KMT2A
SCHEMBL2162943 0.76 FAAH (0.64) DAGLA
SCHEMBL12299153 0.76 CTSL (0.45) ATMTACR1DAGLACTSLCTSS
SCHEMBL10045813 0.76 MAPT (0.67) POLBMEN1KMT2AMAPK1MAPT
SCHEMBL800815 0.74 CTSL (0.44) ATMTACR1CTSLCTSSMAPT
SCHEMBL6062616 0.73 CTSL (0.53) CTSLCTSS
SCHEMBL6062618 0.72 PSMB1 (0.44) ATMDAGLACTSLCTSS
SCHEMBL1464024 0.72 ATM (0.52) ATMCYP3A4CYP2C9CYP2C19TSHR

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 ATM 3419/4885TACR1 1656/4885CYP3A4 1183/4885

“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.