SCHEMBL1068111

SCHEMBL1068111

COc1ccc(-c2nnn([C@@H]3C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
MGLL Q99685 1/20 0.39
USP2 O75604 1/20 0.38
SRC P12931 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL1068114 1.00 HSD17B10 (0.43) HSD17B10SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1131364 0.90 SRC (0.42) SMN1; SMN2ALDH1A1SRC
SCHEMBL8026613 0.84 ELANE (0.48) HSD17B10SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1131373 0.83 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1SRC
SCHEMBL10255074 0.83 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1SRC
SCHEMBL29255152 0.81 LTA4H (0.49) LTA4HABL1BCR
SCHEMBL3892192 0.78 ABL1 (0.37) SMN1; SMN2GPR119SRCABL1BCR
SCHEMBL8025306 0.77 ELANE (0.46) HSD17B10SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL13898314 0.76 MAPT (0.51) ALDH1A1GPR119MEN1KMT2A
SCHEMBL1371585 0.75 HTRA1 (0.48) SMN1; SMN2ALDH1A1HPGDMAPK1RAB9A

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 11 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
WO-2011002807-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 WO disclosed
EP-2237667-A1 HCV PROTEASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2010-10-13 EP 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
WO-2009082697-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-02 WO 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 HSD17B10 877/4885SMN1; SMN2 4140/4885ALDH1A1 1344/4885
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HSD17B10 877/4885SMN1; SMN2 4140/4885ALDH1A1 1344/4885
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HSD17B10 877/4885SMN1; SMN2 4140/4885ALDH1A1 1344/4885
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HSD17B10 877/4885SMN1; SMN2 4140/4885ALDH1A1 1344/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HSD17B10 877/4885SMN1; 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.