SCHEMBL6011641

SCHEMBL6011641

COc1ccc2c(OC3C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
UCHL1 P09936 1/20 0.47
TACR3 P29371 7/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 5/20 0.40
PLA2G2A P14555 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CTSB P07858 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL8261052 1.00 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL375146 1.00 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL2617528 1.00 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL9971085 0.94 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL13123350 0.94 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL8275065 0.94 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL12744677 0.92 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL14035546 0.92 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL16938888 0.92 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL13340509 0.91 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694086-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-25 US disclosed
US-20160235805-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-18 US disclosed
US-9163061-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-10-20 US disclosed
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-23 US disclosed
US-8309685-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2012-11-13 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
EP-1105422-B1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM CA LTD (CA) 2006-02-15 EP 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-20160235805-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC KDM4E 2889/4885SMN1; SMN2 4140/4885ALDH1A1 1344/4885
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC KDM4E 2889/4885SMN1; SMN2 4140/4885ALDH1A1 1344/4885
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC KDM4E 2889/4885SMN1; SMN2 4140/4885ALDH1A1 1344/4885
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC KDM4E 2889/4885SMN1; SMN2 4140/4885ALDH1A1 1344/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC KDM4E 2889/4885SMN1; SMN2 4140/4885ALDH1A1 1344/4885

“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.