SCHEMBL3063876

SCHEMBL3063876

Cc1csc(-c2cc(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)C4C3)nc(-c3nc(C(F)(F)F)cs3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.42
▸ CYP3A4 P08684 2/20 0.38
▸ CTSB P07858 1/20 0.36
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32

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
SCHEMBL13090648 1.00 CTSS (0.42) CTSSCYP3A4CTSBADRB3ADRA2B
SCHEMBL3063879 1.00 CTSS (0.42) CTSSCYP3A4CTSBADRB3ADRA2B
SCHEMBL13090656 0.92 CTSS (0.39) CTSSCYP3A4CTSBADRB3ADRA2B
SCHEMBL15205087 0.92 CTSS (0.39) CTSSCYP3A4CTSBADRB3ADRA2B
SCHEMBL15205088 0.92 CTSS (0.39) CTSSCYP3A4CTSBADRB3ADRA2B
SCHEMBL15205396 0.91 CTSS (0.41) CTSSCYP3A4CTSBADRB3ADRA2B
SCHEMBL13090655 0.91 CTSS (0.41) CTSSCYP3A4CTSBADRB3ADRA2B
SCHEMBL3072347 0.90 CTSS (0.39) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL3072349 0.90 CTSS (0.39) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL13090643 0.90 CTSS (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 — — US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 — — US disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — 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 (2 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-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CTSS 45/4885CYP3A4 353/4885CTSB 39/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CTSS 45/4885CYP3A4 353/4885CTSB 39/4885

“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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