SCHEMBL7116237

SCHEMBL7116237

CCCCCN(C(=O)c1nc2ccccc2o1)C(=O)C(CCS(=O)(=O)c1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6062265 0.87 CTSS (0.41) CTSSRAB9ASMN1; SMN2CTSLKDM4E
SCHEMBL6463182 0.86 CTSS (0.43) CTSSCYP3A4CYP2C9CTSLCTSB
SCHEMBL5581490 0.84 CTSS (0.41) CTSSCTSLKDM4E
SCHEMBL6461829 0.84 CTSS (0.43) CTSSCYP3A4CYP2C9CTSLCTSB
SCHEMBL6466966 0.83 CTSS (0.37) CTSSKDM4E
SCHEMBL7116243 0.83 CTSS (0.49) CTSSCYP3A4CYP2C9
SCHEMBL6467696 0.82 CTSS (0.35) CTSSCYP3A4CYP2C9CTSLKDM4E
SCHEMBL6467376 0.82 CTSS (0.37) CTSSCYP3A4CYP2C9CTSLCTSB
SCHEMBL7047097 0.81 AR (0.35) CTSSCYP3A4CYP2C9KDM4E
SCHEMBL5581284 0.81 KDM4E (0.40) CTSSRAB9ASMN1; SMN2KDM4E

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 9/4885CYP3A4 1183/4885CYP2C9 1807/4885

“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.