SCHEMBL10076848

SCHEMBL10076848

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HTRA1 Q92743 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
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
ELANE P08246 1/20 0.39
F2 P00734 2/20 0.38
MMP2 P08253 2/20 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
SCHEMBL13613239 1.00 ACE (0.41) ACEMEN1KMT2AUSP2LMNA
SCHEMBL14350258 1.00 ACE (0.41) ACEMEN1KMT2AUSP2LMNA
SCHEMBL3052690 1.00 ACE (0.41) ACEMEN1KMT2AUSP2LMNA
SCHEMBL14376884 0.94 HTRA1 (0.39) ACEMEN1KMT2AUSP2LMNA
SCHEMBL10076845 0.94 HTRA1 (0.39) ACEMEN1KMT2AUSP2LMNA
SCHEMBL3050903 0.94 HTRA1 (0.39) ACEMEN1KMT2AUSP2LMNA
SCHEMBL13613236 0.94 HTRA1 (0.39) ACEMEN1KMT2AUSP2LMNA
SCHEMBL14350234 0.94 HTRA1 (0.39) ACEMEN1KMT2AUSP2LMNA
SCHEMBL10076846 0.87 F2 (0.42) ACEMEN1KMT2AUSP2LMNA
SCHEMBL13245770 0.83 CTSB (0.38) ACECYP3A4ELANEMMP2MMP3

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
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

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 ACE 46/4885MEN1 4236/4885KMT2A 2411/4885

“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.