SCHEMBL312963

SCHEMBL312963

C=CCCCCN(C)C(=O)[C@@H]1C[C@H](Oc2cc(-c3nc(C(F)(F)F)cs3)nc3c(C)c(OC)ccc23)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.36
CTSB P07858 1/20 0.34
PPP3CB P16298 1/20 0.34
CTSS P25774 1/20 0.31
ADRB3 P13945 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL7994784 1.00 UCHL1 (0.36) UCHL1CTSBPPP3CBCTSSADRB3
SCHEMBL312962 1.00 UCHL1 (0.36) UCHL1CTSBPPP3CBCTSSADRB3
SCHEMBL10247253 0.94 UCHL1 (0.36) UCHL1CTSBPPP3CB
SCHEMBL15216085 0.94 UCHL1 (0.36) UCHL1CTSBPPP3CB
SCHEMBL8002444 0.94 UCHL1 (0.36) UCHL1CTSBPPP3CB
SCHEMBL15216171 0.93 CTSB (0.35) CTSBPPP3CBCTSSADRB3ADRA2B
SCHEMBL15026861 0.92 CTSB (0.34) CTSBPPP3CBCTSSADRB3ADRA2B
SCHEMBL10247227 0.91 UCHL1 (0.36) UCHL1CTSBPPP3CB
SCHEMBL8004477 0.89 CTSB (0.32) CTSBPPP3CBCTSS
SCHEMBL313700 0.89 CTSB (0.32) CTSBPPP3CBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
EP-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8003659-B2 Macrocyclic serine protease inhibitors INDENIX PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 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-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 UCHL1 782/4885CTSB 55/4885PPP3CB 297/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 UCHL1 782/4885CTSB 55/4885PPP3CB 297/4885

“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.