SCHEMBL7882113

SCHEMBL7882113

CCOC(=O)[C@H](Cc1ccccc1)N=C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
HSD17B10 Q99714 1/20 0.44
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
TP53 P04637 1/20 0.43
PIN1 Q13526 1/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
MIF P14174 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL279730 1.00 MMP8 (0.51) MMP8L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL135996 0.86 MIF (0.56) ALDH1A1LMNAPOLBHSD17B10PPARG
SCHEMBL7266856 0.86 ALDH1A1 (0.46) L3MBTL1SMN1; SMN2ALDH1A1LMNAMIF
SCHEMBL5399978 0.86 MIF (0.56) ALDH1A1LMNAPOLBHSD17B10PPARG
SCHEMBL820965 0.86 MIF (0.56) ALDH1A1LMNAPOLBHSD17B10PPARG
SCHEMBL7266845 0.86 ALDH1A1 (0.46) L3MBTL1SMN1; SMN2ALDH1A1LMNAMIF
SCHEMBL12483826 0.82 ITGA4 (0.48) POLBMIFMAPT
SCHEMBL10441236 0.82 ITGA4 (0.48) POLBMIFMAPT
SCHEMBL28122854 0.82 PPARG (0.40) L3MBTL1PPARGMIFPKM
SCHEMBL21891734 0.81 CHRM1 (0.40) MMP8PPARGMIFPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838888-B1 THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS ASD THERAPEUTICS PARTNERS LLC (US) 2017-04-12 EP disclosed
US-9469618-B2 Thiadiazolidinediones as GSK-3 inhibitors ASD THERAPEUTICS PARTNERS, LLC (US) 2016-10-18 US disclosed
US-9469618-B2 Thiadiazolidinediones as GSK-3 inhibitors ASD THERAPEUTICS PARTNERS, LLC (US) 2016-10-18 US disclosed
US-20160257660-A1 THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS ASD THERAPEUTICS PARTNERS LLC (US) 2016-09-08 US disclosed
US-20160257660-A1 THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS ASD THERAPEUTICS PARTNERS LLC (US) 2016-09-08 US disclosed
US-9371299-B2 Thiadiazolidinediones as GSK-3 inhibitors ASD THERAPEUTICS PARTNERS, LLC (US) 2016-06-21 US disclosed
US-9371299-B2 Thiadiazolidinediones as GSK-3 inhibitors ASD THERAPEUTICS PARTNERS, LLC (US) 2016-06-21 US disclosed
US-20150038538-A1 THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS ASD THERAPEUTICS PARTNERS LLC (US) 2015-02-05 US disclosed
US-20150038538-A1 THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS ASD THERAPEUTICS PARTNERS LLC (US) 2015-02-05 US disclosed
WO-2013124413-A1 THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS NOSCIRA, S.A. (ES) 2013-08-29 WO disclosed
US-6333427-B1 EXTRACTING OPTICALLY ACTIVE FORM OF N-T-BUTOXYCARBONYLPHENYLALANINE ESTER IN CRUDE PREPARATION INTO ALIPHATIC HYDROCARBON, RECOVERING ESTER PREPARATION HAVING IMPROVED OPTICAL PURITY MITSUI CHEMICALS, INC. (JP) 2001-12-25 US disclosed
EP-1031560-A1 Process for preparing N-t-butoxycarbonylphenylalanine ester Mitsui Chemicals, Inc. (JP) 2000-08-30 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 (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-20160257660-A1 THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP MMP8 3158/4885L3MBTL1 4029/4885SMN1; SMN2 2037/4885
US-20150038538-A1 THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP MMP8 3158/4885L3MBTL1 4029/4885SMN1; SMN2 2037/4885

“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.