SCHEMBL7044345

SCHEMBL7044345

O=C(NCC(C(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)S(=O)(=O)Cc1ccccn1)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSK P43235 2/20 0.39
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7042145 0.90 CTSS (0.40) CTSSCTSLCTSBCTSKLMNA
SCHEMBL6468432 0.87 GART (0.34) CTSSHTTSMN1; SMN2CYP3A4CYP2C9
SCHEMBL6463875 0.85 CTSS (0.39) CTSSCTSLCTSBCTSKLMNA
SCHEMBL7183175 0.85 CTSS (0.39) CTSSCTSLCTSBCTSKLMNA
SCHEMBL7049143 0.85 HTT (0.34) CTSSHTTCYP3A4CYP2C9
SCHEMBL7179327 0.82 LMNA (0.38) CTSSLMNAHTTSMN1; SMN2CYP3A4
SCHEMBL6467381 0.82 CTSS (0.36) CTSSHTTCYP3A4CYP2C9MEN1
SCHEMBL7183010 0.81 CTSS (0.37) CTSSLMNAHTTSMN1; SMN2CYP3A4
SCHEMBL7042876 0.80 CTSS (0.43) CTSSCTSLCTSBCTSKLMNA
Hydrochloric Acid SCHEMBL7114471 0.80 CTSS (0.43) CTSSCTSLCTSBCTSKLMNA

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 CTSS 9/4885CTSL 18/4885CTSB 11/4885

“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.