SCHEMBL10137814

SCHEMBL10137814

CC(C)C(=O)Cc1ccc(CC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
CAMK2A Q9UQM7 1/20 0.56
AKR1B1 P15121 1/20 0.54
GAA P10253 3/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
PTGS1 P23219 2/20 0.52
ABCC4 O15439 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
KLKB1 P03952 1/20 0.48
CTSB P07858 1/20 0.48
ANPEP P15144 1/20 0.47
ENPEP Q07075 1/20 0.47
FFAR1 O14842 1/20 0.47
POLB P06746 3/20 0.46
NSD2 O96028 1/20 0.46
GRK2 P25098 1/20 0.46

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
SCHEMBL13197240 0.91 POLB (0.45) CA2CAMK2AAKR1B1GAATSHR
SCHEMBL331007 0.84 TSHR (0.57) AKR1B1TSHRALDH1A1POLBMEN1
SCHEMBL10137789 0.84 AKR1B1 (0.52) AKR1B1GAATSHRLMNAPTGS1
SCHEMBL5645139 0.83 ALDH1A1 (0.55) GAATSHRALDH1A1ANPEPENPEP
SCHEMBL15160745 0.83 POLB (0.40) CA2CAMK2ATSHRPTGS1HTT
SCHEMBL10137771 0.83 HPGD (0.55) GAALMNAALDH1A1HPGDTDP1
SCHEMBL16379390 0.83 ALDH1A1 (0.48) LMNAALDH1A1HPGDPOLBKMT2A
SCHEMBL13203128 0.83 POLB (0.58) CA2CAMK2ATSHRPTGS1HTT
SCHEMBL8936359 0.83 CA2 (0.56) CA2CAMK2ALMNA
SCHEMBL2625190 0.82 LMNA (0.62) GAATSHRLMNAPTGS1ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 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 (3 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CA2 4293/4885CAMK2A 4371/4885AKR1B1 2848/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP CA2 4293/4885CAMK2A 4371/4885AKR1B1 2848/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CA2 4293/4885CAMK2A 4371/4885AKR1B1 2848/4885

“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.