SCHEMBL10045004

SCHEMBL10045004

CCOC(=O)N[C@H](C(=O)C(C)C)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.37
ALOX15 P16050 2/20 0.37
METAP2 P50579 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36

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
SCHEMBL19485858 0.92 TRPM8 (0.38) ALDH1A1NPSR1L3MBTL1HPGDATM
SCHEMBL10045006 0.87 SMN1; SMN2 (0.39) TSHRHPGDEPHX1CA12CA1
SCHEMBL14263864 0.84 TSHR (0.44) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL6436784 0.84 TSHR (0.44) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL6436779 0.84 TSHR (0.44) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL10072215 0.84 ALDH1A1 (0.43) ALDH1A1NPSR1TSHRL3MBTL1HPGD
SCHEMBL8045840 0.84 MMP2 (0.44) ALDH1A1NPSR1TSHRHPGDEPHX1
SCHEMBL12018425 0.84 MMP2 (0.44) ALDH1A1NPSR1TSHRHPGDEPHX1
SCHEMBL10072210 0.83 ALDH1A1 (0.42) ALDH1A1NPSR1TSHRL3MBTL1HPGD
Hydrochloric Acid SCHEMBL27509412 0.83 TSHR (0.43) ALDH1A1NPSR1TSHRL3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 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 (5 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-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS ALDH1A1 764/4885NPSR1 2191/4885TSHR 4619/4885
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 ALDH1A1 1657/4885NPSR1 1203/4885TSHR 4744/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 ALDH1A1 1805/4885NPSR1 751/4885TSHR 4294/4885
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 ALDH1A1 637/4885NPSR1 2036/4885TSHR 4661/4885
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS ALDH1A1 764/4885NPSR1 2191/4885TSHR 4619/4885

“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.