SCHEMBL803886

SCHEMBL803886

CCOC(=O)C(c1ccccc1)C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MMP8 P22894 1/20 0.53
PIN1 Q13526 2/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL803808 1.00 ATM (0.65) ATML3MBTL1MMP8PIN1MEN1
SCHEMBL28862621 0.86 ATM (0.61) ATML3MBTL1MMP8NPC1KMT2A
SCHEMBL803575 0.85 ATM (0.56) ATML3MBTL1MMP8MEN1KMT2A
SCHEMBL803631 0.85 ATM (0.56) ATML3MBTL1MMP8MEN1KMT2A
SCHEMBL7930466 0.84 MMP8 (0.51) ATML3MBTL1MMP8PIN1MEN1
SCHEMBL28620584 0.84 MMP8 (0.51) ATML3MBTL1MMP8PIN1MEN1
SCHEMBL803805 0.83 L3MBTL1 (0.58) ATML3MBTL1NPC1SMN1; SMN2TSHR
SCHEMBL803638 0.83 L3MBTL1 (0.58) ATML3MBTL1NPC1SMN1; SMN2TSHR
SCHEMBL25530523 0.83 ATM (0.45) ATML3MBTL1PIN1MEN1NPC1
SCHEMBL803574 0.82 L3MBTL1 (0.56) ATML3MBTL1NPC1SMN1; SMN2TSHR

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-9120794-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-01 US disclosed
US-20150105378-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-16 US disclosed
US-8951985-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8951985-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8952180-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-10 US disclosed
US-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 US disclosed
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20130064793-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-14 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 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 (4 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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 ATM 4829/4885L3MBTL1 272/4885MMP8 2061/4885
US-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, LPL, PNLIP ATM 2748/4885L3MBTL1 4660/4885MMP8 891/4885
US-20130064793-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, EIF2AK2 ATM 4159/4885L3MBTL1 2265/4885MMP8 736/4885
US-20150105378-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL ATM 2078/4885L3MBTL1 4644/4885MMP8 807/4885

“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.