SCHEMBL7042866

SCHEMBL7042866

O=C(N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1)N(CCSCc1ccccc1)C(=O)OC1CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTPN1 P18031 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
SCHEMBL6462134 0.86 SMN1; SMN2 (0.34) LMNAMAPTPTPN1
SCHEMBL6467283 0.86 MEN1 (0.38) LMNAMAPTPTPN1
SCHEMBL6463254 0.78 CTSS (0.34) LMNAMAPTPTPN1
SCHEMBL7189147 0.78 CTSS (0.34) LMNAMAPTPTPN1
SCHEMBL6468282 0.77 MEN1 (0.32) MAPTPTPN1
SCHEMBL7049041 0.75 ATM (0.38) MAPT
SCHEMBL6466278 0.75 BMP1 (0.36) LMNAMAPTPTPN1
SCHEMBL7466136 0.74 FAAH (0.36) LMNAPTPN1
SCHEMBL6466197 0.74 FAAH (0.36) LMNAPTPN1
SCHEMBL6467033 0.73 FAAH (0.36) LMNAPTPN1

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 LMNA 1755/4885MAPT 2414/4885PTPN1 1888/4885

“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.