SCHEMBL8005334

SCHEMBL8005334

C=CCCCCN(C)C(=O)C1C[C@H](Oc2cc(-c3nc(C(F)(F)F)cs3)nc3c(Cl)c(OC)ccc23)CN1C(=O)n1ccnc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.32
PPP3CB P16298 1/20 0.32
ABCC1 P33527 1/20 0.30
ABCC2 Q92887 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL12356928 1.00 CTSB (0.32) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10247430 0.94
SCHEMBL313700 0.94 CTSB (0.32) CTSBPPP3CB
SCHEMBL8004477 0.94 CTSB (0.32) CTSBPPP3CB
SCHEMBL313402 0.91 CTSS (0.34) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL15216085 0.89 UCHL1 (0.36) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8002444 0.89 UCHL1 (0.36) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL12369706 0.86 CTSS (0.32) CTSBPPP3CB
SCHEMBL15216171 0.84 CTSB (0.35) CTSBPPP3CB
SCHEMBL10247227 0.84 UCHL1 (0.36) CTSBPPP3CB

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-8003659-B2 Macrocyclic serine protease inhibitors INDENIX PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO 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 (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-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CTSB 55/4885PPP3CB 297/4885ABCC1 1068/4885

“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.