SCHEMBL10076845

SCHEMBL10076845

CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(C)(C)C)C(O)C(=O)NC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.39
ACE P12821 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP8 Q14790 1/20 0.39
CASP10 Q92851 1/20 0.39
MMP2 P08253 4/20 0.38
CTSB P07858 2/20 0.38
CTSL P07711 2/20 0.38
MMP3 P08254 2/20 0.38
CTSV O60911 1/20 0.38

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
SCHEMBL13613236 1.00 HTRA1 (0.39) HTRA1ACEMEN1KMT2AUSP2
SCHEMBL14350234 1.00 HTRA1 (0.39) HTRA1ACEMEN1KMT2AUSP2
SCHEMBL3050903 1.00 HTRA1 (0.39) HTRA1ACEMEN1KMT2AUSP2
SCHEMBL14376884 1.00 HTRA1 (0.39) HTRA1ACEMEN1KMT2AUSP2
SCHEMBL3052690 0.94 ACE (0.41) HTRA1ACEMEN1KMT2AUSP2
SCHEMBL13613239 0.94 ACE (0.41) HTRA1ACEMEN1KMT2AUSP2
SCHEMBL10076848 0.94 ACE (0.41) HTRA1ACEMEN1KMT2AUSP2
SCHEMBL14350258 0.94 ACE (0.41) HTRA1ACEMEN1KMT2AUSP2
SCHEMBL10076846 0.91 F2 (0.42) HTRA1ACEMEN1KMT2AUSP2
SCHEMBL13613245 0.86 CTSB (0.40) MMP2CTSBCTSLMMP3CTSV

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-2468744-A2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-27 EP disclosed
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 US disclosed
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 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-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 HTRA1 24/4885ACE 46/4885MEN1 4236/4885

“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.