SCHEMBL312697

SCHEMBL312697

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
P2RX3 P56373 3/20 0.38
ABCC1 P33527 1/20 0.37
ABCC2 Q92887 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CTSB P07858 1/20 0.36
PPP3CB P16298 1/20 0.36
UCHL1 P09936 1/20 0.36
PDE4B Q07343 4/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
MCL1 Q07820 2/20 0.31
EGFR P00533 1/20 0.31
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
RORC P51449 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
SCHEMBL312698 1.00 CTSS (0.38) CTSSP2RX3ABCC1ABCC2ABCG2
SCHEMBL313204 0.94 UCHL1 (0.38) CTSSP2RX3ABCC1ABCC2ABCG2
SCHEMBL2213932 0.94 UCHL1 (0.38) CTSSP2RX3ABCC1ABCC2ABCG2
SCHEMBL1101736 0.94 UCHL1 (0.38) CTSSP2RX3ABCC1ABCC2ABCG2
SCHEMBL1101688 0.92 CTSS (0.44) CTSSP2RX3ABCC1ABCC2ABCG2
SCHEMBL1101734 0.86 CTSS (0.44) CTSSP2RX3ABCC1ABCC2ABCG2
SCHEMBL7936436 0.86 CTSS (0.44) CTSSP2RX3ABCC1ABCC2ABCG2
SCHEMBL883040 0.85 CTSS (0.43) CTSSCTSBPPP3CBUCHL1PDE4B
SCHEMBL314075 0.85 CTSB (0.36) CTSSABCC1ABCC2ABCG2CTSB
SCHEMBL314074 0.85 CTSB (0.36) CTSSABCC1ABCC2ABCG2CTSB

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 5 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
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 CTSS 43/4885P2RX3 4734/4885ABCC1 1068/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CTSS 43/4885P2RX3 4734/4885ABCC1 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.