SCHEMBL25524201

SCHEMBL25524201

Cc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.73
▸ CTSB P07858 1/20 0.49
▸ ADRB3 P13945 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ CYP3A4 P08684 2/20 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
SCHEMBL25524332 0.95 CTSS (0.81) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL16726411 0.95 CTSS (0.81) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL14973624 0.94 CTSS (0.80) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL14973626 0.94 CTSS (0.80) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL995651 0.89 CTSS (0.68) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL8220315 0.89 CTSS (0.68) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL995653 0.89 CTSS (0.68) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL20021634 0.89 CTSS (0.90) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL13530920 0.87 CTSS (0.82) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL2213583 0.87 CTSS (0.75) CTSSCTSBADRB3ADRA2BADRA2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11660288-B2 Drug-controlled systems and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2023-05-30 — — 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-11660288-B2 Drug-controlled systems and uses thereof ATF4, MRPL21, SARS1 CTSS 1489/4885CTSB 3062/4885ADRB3 1925/4885

“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.

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