SCHEMBL25524204

SCHEMBL25524204

Cc1ccc2c(O[C@H]3CCN4C(=O)N(C)CCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)[C@@H]4C3)cc(-c3nc(C(F)(F)F)cs3)nc2c1C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.53
▸ CTSB P07858 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CYP3A4 P08684 2/20 0.39

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
SCHEMBL29559326 0.95 CTSS (0.59) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL3066637 0.95 CTSS (0.59) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL29551986 0.95 CTSS (0.59) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL22730085 0.95 CTSS (0.59) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL13090480 0.88 CTSS (0.60) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL16588660 0.88 CTSS (0.68) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL3063879 0.87 CTSS (0.42) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL3063876 0.87 CTSS (0.42) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL13090648 0.87 CTSS (0.42) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL22484282 0.86 CTSS (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241026-A1 NOVEL DRUG-CONTROLLED SYSTEMS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-08-03 — — US disclosed
US-11660288-B2 Drug-controlled systems and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2023-05-30 — — US disclosed
US-20230159600-A1 REGULATED SYNTHETIC GENE EXPRESSION SYSTEMS TRUSTEES OF BOSTON UNIVERSITY (US) 2023-05-25 — — 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 (3 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-20230159600-A1 REGULATED SYNTHETIC GENE EXPRESSION SYSTEMS SRRT, BPTF, MYCBP CTSS 3754/4885CTSB 4535/4885ADRB3 4589/4885
US-11660288-B2 Drug-controlled systems and uses thereof ATF4, MRPL21, SARS1 CTSS 1489/4885CTSB 3062/4885ADRB3 1925/4885
US-20230241026-A1 NOVEL DRUG-CONTROLLED SYSTEMS AND USES THEREOF ATF4, MRPL21, TMPRSS2 CTSS 1043/4885CTSB 2542/4885ADRB3 1423/4885

“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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