SCHEMBL2583923

SCHEMBL2583923

COC(=O)C(CNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
HPGD P15428 3/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGER1 P34995 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
PPARA Q07869 2/20 0.38

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
SCHEMBL1185862 1.00 IDO1 (0.45) IDO1HPGDTP53ALDH1A1HTT
SCHEMBL1185682 0.91 PPARA (0.44) IDO1LMNAPTGER1KMT2AMEN1
SCHEMBL1186192 0.91 PPARA (0.44) IDO1LMNAPTGER1KMT2AMEN1
SCHEMBL2577180 0.91 PPARA (0.44) IDO1LMNAPTGER1KMT2AMEN1
SCHEMBL28789660 0.90 IDO1 (0.41) IDO1HPGDTP53ALDH1A1HTT
SCHEMBL27821501 0.90 IDO1 (0.41) IDO1HPGDTP53ALDH1A1HTT
SCHEMBL2582904 0.82 PPARA (0.42) ALDH1A1LMNAPPARAPPARGPPARD
SCHEMBL2582035 0.82 PPARA (0.42) ALDH1A1LMNAPPARAPPARGPPARD
SCHEMBL3665503 0.81 GAA (0.49) IDO1LMNAKMT2APPARAPPARG
SCHEMBL12980519 0.81 IDO1 (0.40) IDO1HPGDTP53ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2025672-B1 PROCESS FOR PRODUCING 1-CARBAMOYL-3,7-DIOXO-1,4-DIAZEPANE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-8049006-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-01 US disclosed
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF ASUBIO PHARMA CO., LTD (JP) 2009-10-08 US disclosed
EP-2025672-A1 SEVEN-MEMBERED RING COMPOUND, PRODUCTION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2009-02-18 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 (1 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-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI IDO1 1633/4885HPGD 626/4885TP53 1787/4885

“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.