SCHEMBL279730

SCHEMBL279730

CCOC(=O)C(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
SCHEMBL7882113 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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53018515-A None JP disclosed
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-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
EP-2838888-A1 THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS ASD Therapeutics Partners LLC (US) 2015-02-25 EP disclosed
US-20150038538-A1 THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS ASD THERAPEUTICS PARTNERS LLC (US) 2015-02-05 US disclosed
US-8765766-B2 Pyrimidine derivatives which are antagonists of the vitronectin receptor GALAPAGOS NV (BE) 2014-07-01 US disclosed
WO-2013124413-A1 THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS NOSCIRA, S.A. (ES) 2013-08-29 WO disclosed
US-20120115883-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF THE VITRONECTIN RECEPTOR GALAPAGOS SAS 2012-05-10 US disclosed
US-5708008-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
WO-1997030707-A1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-28 WO disclosed
WO-1997000244-A1 PROCESS FOR PARALLEL SYNTHESIS OF A NON-PEPTIDE LIBRARY ELI LILLY AND COMPANY (US) 1997-01-03 WO disclosed
WO-1996029075-A1 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
EP-0733628-A1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
EP-0654028-B1 3- AND 5-SUBSTITUTED 1,2,3,4-OXATRIAZOLE-5-IMINE COMPOUNDS, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL PREPARATION CONTAINING SAID COMPOUNDS AND THE USE OF SAID COMPOUNDS FOR THE PREPARATION OF MEDICAMENTS GEA FARMACEUTISK FABRIK AS (DK) 1996-04-17 EP disclosed
EP-0654028-A1 3- AND 5-SUBSTITUTED 1,2,3,4-OXATRIAZOLE-5-IMINE COMPOUNDS, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL PREPARATION CONTAINING SAID COMPOUNDS AND THE USE OF SAID COMPOUNDS FOR THE PREPARATION OF MEDICAMENTS. GEA FARMACEUTISK FABRIK AS (DK) 1995-05-24 EP disclosed
WO-1994003442-A1 3- AND 5-SUBSTITUTED 1,2,3,4-OXATRIAZOLE-5-IMINE COMPOUNDS, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL PREPARATION CONTAINING SAID COMPOUNDS AND THE USE OF SAID COMPOUNDS FOR THE PREPARATION OF MEDICAMENTS A/S GEA FARMACEUTISK FABRIK (DK) 1994-02-17 WO disclosed
JP-S5318515-A ISOCYANATES AND THEIR PREPARATION MITSUI TOATSU CHEM INC 1978-02-20 JP 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 (3 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
US-20120115883-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 MMP8 1287/4885L3MBTL1 4780/4885SMN1; SMN2 3997/4885

“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.