SCHEMBL6462857

SCHEMBL6462857

O=C(N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1)N(CCC1CCCCC1)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 1/20 0.32
OPRD1 P41143 1/20 0.31
CTSS P25774 3/20 0.31
CTSL P07711 2/20 0.31
CTSB P07858 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
BMP1 P13497 2/20 0.30
CTSK P43235 1/20 0.30
MMP2 P08253 1/20 0.30
PRCP P42785 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
SCHEMBL6467503 0.89 REN (0.33) RENPPARGPPARA
SCHEMBL6466278 0.86 BMP1 (0.36) RENPPARGPPARACTSSCTSL
SCHEMBL6467029 0.80 LMNA (0.38) CTSSCTSLCTSBLMNAMAPT
SCHEMBL7048358 0.79 SMN1; SMN2 (0.38) LMNAMAPT
SCHEMBL6473321 0.77 MEN1 (0.40) CTSSCTSLCTSBLMNAMAPT
SCHEMBL6463649 0.77 MEN1 (0.40) CTSSCTSLCTSBLMNAMAPT
SCHEMBL6466336 0.77 MEN1 (0.40) CTSSCTSLCTSBLMNAMAPT
SCHEMBL7049041 0.76 ATM (0.38) PPARGPPARAMAPT
SCHEMBL7561725 0.73 FAAH (0.38) CTSSCTSLCTSBLMNAMAPT
SCHEMBL6464156 0.73 CTSS (0.43) RENCTSSCTSLCTSBLMNA

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 REN 201/4885PPARG 4143/4885PPARA 3971/4885

“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.