SCHEMBL1399080

SCHEMBL1399080

NC(CC(=O)OCc1ccccc1)N1C(=O)CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.47
ALDH1A1 P00352 4/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.43
CDC25B P30305 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOTUM Q6P988 1/20 0.40
GLA P06280 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC1A2 P43004 1/20 0.39
DPP4 P27487 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL1399004 0.87 ALDH1A1 (0.44) SLC15A1ALDH1A1PKML3MBTL1MAPK1
SCHEMBL3736402 0.75 ALDH1A1 (0.47) ALDH1A1PKML3MBTL1MAPK1CASP1
Hydrochloric Acid SCHEMBL19511476 0.74 ALDH1A1 (0.59) SLC15A1ALDH1A1L3MBTL1MAPK1CDC25B
SCHEMBL6546883 0.74 ALDH1A1 (0.59) SLC15A1ALDH1A1L3MBTL1MAPK1CDC25B
Hydrochloric Acid SCHEMBL27518479 0.74 ALDH1A1 (0.59) SLC15A1ALDH1A1L3MBTL1MAPK1CDC25B
SCHEMBL11338112 0.73 ALDH1A1 (0.62) ALDH1A1PKML3MBTL1CASP1CYP3A4
SCHEMBL8526862 0.73 P2RX4 (0.55) ALDH1A1L3MBTL1MAPK1CYP3A4CYP2C9
SCHEMBL589202 0.72 SLC15A1 (0.61) SLC15A1ALDH1A1PKML3MBTL1MAPK1
SCHEMBL589203 0.72 SLC15A1 (0.61) SLC15A1ALDH1A1PKML3MBTL1MAPK1
SCHEMBL5898461 0.72 SLC15A1 (0.65) SLC15A1ALDH1A1PKML3MBTL1MAPK1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925294-B3 SUBSTITUTED 2(2,6-DIOXOPIPERIDIN-3-YL)PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORP (US) 2018-07-04 EP disclosed
US-20160096818-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNFALPHA LEVELS CELGENE CORPORATION 2016-04-07 US disclosed
EP-2859895-A1 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and 1-oxoisoindolines and method of reducing TNF alpha levels CELGENE CORPORATION (US) 2015-04-15 EP disclosed
EP-2305663-B1 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and 1-oxoisoindolines and method of reducing TNF alpha levels CELGENE CORP (US) 2014-12-17 EP disclosed
US-20140187584-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and -1-Oxoisoindolines and Method of Reducing TNFalpha Levels CELGENE CORPORATION (US) 2014-07-03 US disclosed
US-20130030021-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and 1-Oxoisoindolines and Method of Reducing TNFalpha Levels CELGENE CORPORATION (US) 2013-01-31 US disclosed
EP-1956017-B1 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and method of reducing TNF alpha levels CELGENE CORP (US) 2013-01-23 EP disclosed
US-8288415-B2 Pharmaceutical compositions of 3-(4-amino-1-oxoisoindolin-2yl)-piperidine-2,6-dione CELGENE CORPORATION (US) 2012-10-16 US disclosed
US-8158653-B2 Pharmaceutical compositions of 1,3-dioxo-2-(2,6-dioxopiperidin-3-yl)-4-amino isoindoline CELGENE CORPORATION (US) 2012-04-17 US disclosed
EP-2177517-B1 Amino substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimide for reducing TNF alpha levels CELGENE CORP (US) 2011-10-26 EP disclosed
US-6476052-B1 Isoindolines, method of use, and pharmaceutical compositions CELGENE CORPORATION 2002-11-05 US disclosed
US-6395754-B1 ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS, ANTIPYRETICS CELGENE CORPORATION, ET AL. 2002-05-28 US disclosed
US-20020045643-A1 Isoindolines, method of use, and pharmaceutical compositions MULLER GEORGE W (US) 2002-04-18 US disclosed
US-6335349-B1 AGENTS THAT REDUCE LEVELS OF TUMOR NECROSIS FACTOR; ANTICARCINOGENIC AND ANTIINFLAMMATORY AGENTS; TREATMENT OF AUTOIMMUNE DISEASES CELGENE CORPORATION 2002-01-01 US disclosed
US-6316471-B1 TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES CELGENE CORPORATION 2001-11-13 US disclosed
US-6281230-B1 TREATING INFLAMMATION, INFLAMMATORY DISEASE OR AUTOIMMUNE DISEASE IN A MAMMAL CELGENE CORPORATION 2001-08-28 US disclosed
EP-0984955-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-PHTHALIMIDES AND 1-OXOISOINDOLINES AND METHOD OF REDUCING TNF$g(a) LEVELS Gelgene Corporation (US) 2000-03-15 EP disclosed
EP-0925294-A1 SUBSTITUTED 2(2,6-DIOXOPIPERIDIN-3-YL)PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORPORATION (US) 1999-06-30 EP disclosed
WO-1998054170-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-PHTHALIMIDES AND 1-OXOISOINDOLINES AND METHOD OF REDUCING TNFα LEVELS CELGENE CORPORATION (US) 1998-12-03 WO disclosed
WO-1998003502-A1 SUBSTITUTED 2(2,6-DIOXOPIPERIDIN-3-YL)PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORPORATION (US) 1998-01-29 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 (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-20160096818-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNFALPHA LEVELS TNF, NFKBIA, TRAF2 SLC15A1 4678/4885ALDH1A1 1232/4885PKM 3917/4885
US-20140187584-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and -1-Oxoisoindolines and Method of Reducing TNFalpha Levels TNF, NFKBIA, TRAF2 SLC15A1 4678/4885ALDH1A1 1232/4885PKM 3917/4885
US-20020045643-A1 Isoindolines, method of use, and pharmaceutical compositions TNF, OPRK1, OPRD1 SLC15A1 4631/4885ALDH1A1 362/4885PKM 2976/4885
US-20130030021-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and 1-Oxoisoindolines and Method of Reducing TNFalpha Levels TNF, NFKBIA, TRAF2 SLC15A1 4638/4885ALDH1A1 1344/4885PKM 3750/4885

“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.