SCHEMBL8148985

SCHEMBL8148985

C=CCCCCC[C@H](NC(C)=O)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 1/20 0.46
PLA2G2C Q5R387 1/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.40
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
NOD1 Q9Y239 3/20 0.38
TRPV1 Q8NER1 1/20 0.36
TSHR P16473 1/20 0.35
ABCC4 O15439 1/20 0.35

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
SCHEMBL13010934 1.00 USP2 (0.46) USP2SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL12571476 0.88 USP2 (0.48) USP2SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL13026177 0.86 SMN1; SMN2 (0.46) USP2SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL14706548 0.86 KMT2A (0.43) USP2SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL13067403 0.86 SMN1; SMN2 (0.46) USP2SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL8402549 0.85 MAPT (0.44) USP2SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL13925023 0.82 SMN1; SMN2 (0.55) USP2SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL8091831 0.82 SMN1; SMN2 (0.55) USP2SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL3777018 0.81 GNPAT (0.49) USP2SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL10255206 0.81 PLA2G2C (0.41) USP2SMN1; SMN2MAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100323953-A1 MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS PHENOMIX CORPORATION (US) 2010-12-23 US disclosed
US-20100323953-A1 MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS PHENOMIX CORPORATION (US) 2010-12-23 US disclosed
US-7504378-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-17 US disclosed
US-7504378-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-17 US disclosed
WO-2008086161-A1 MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS PHENOMIX CORPORATION (US) 2008-07-17 WO disclosed
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 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 (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-20100323953-A1 MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS CTSC, HAVCR2, TMPRSS15 USP2 807/4885SMN1; SMN2 4531/4885MAPT 4213/4885
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same SERPINB1, CTSC, CTSV USP2 1401/4885SMN1; SMN2 4566/4885MAPT 3214/4885

“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.