SCHEMBL3055348

SCHEMBL3055348

C#Cc1csc(-c2cc(O[C@@H]3CCN4C(=O)N(C)CCCCC=C[C@@H]5C[C@@]5(C(=O)OC)NC(=O)[C@@H]4C3)c3ccc(OC)c(C)c3n2)n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.56
▸ ADRB3 P13945 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ CTSB P07858 1/20 0.41

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
SCHEMBL3055344 1.00 CTSS (0.56) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL13100633 1.00 CTSS (0.56) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL13100634 0.95 CTSS (0.55) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL3054431 0.95 CTSS (0.55) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL3054435 0.95 CTSS (0.55) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL15205358 0.95 CTSS (0.55) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL13090510 0.91 CTSS (0.59) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL6844971 0.89 CTSS (0.66) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL1926454 0.89 CTSS (0.66) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL3069901 0.85 CTSS (0.55) CTSSADRB3ADRA2BADRA2CCTSB

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 45/4885ADRB3 4357/4885ADRA2B 4030/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CTSS 45/4885ADRB3 4357/4885ADRA2B 4030/4885

“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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