SCHEMBL6151703

SCHEMBL6151703

COc1sc2ccccc2c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
CNR2 P34972 6/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
CNR1 P21554 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
ATM Q13315 2/20 0.48
PRNP P04156 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MCL1 Q07820 1/20 0.45
EDNRA P25101 1/20 0.45
ABCC1 P33527 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5453340 0.85 MAPK1 (0.55) LMNAMAPK1CNR2L3MBTL1CNR1
SCHEMBL9495317 0.77 LMNA (0.82) LMNAMAPK1CNR2L3MBTL1CNR1
SCHEMBL29448323 0.77 PRNP (0.53) LMNAMAPK1CNR2L3MBTL1CNR1
SCHEMBL2206020 0.77 MCL1 (0.49) LMNAMAPK1CNR2L3MBTL1CNR1
SCHEMBL1398747 0.77 PRNP (0.53) LMNAMAPK1CNR2L3MBTL1CNR1
SCHEMBL6231818 0.76 ACLY (0.45) LMNAMAPK1CNR2L3MBTL1CNR1
SCHEMBL9272529 0.76 PTPN2 (0.43) LMNAMAPK1CNR2L3MBTL1CNR1
SCHEMBL6234185 0.74 MCL1 (0.55) LMNAMAPK1CNR2L3MBTL1CNR1
SCHEMBL29664668 0.74 MCL1 (0.65) LMNAMAPK1ATMPRNPRXFP1
SCHEMBL941112 0.74 MCL1 (0.65) LMNAMAPK1ATMPRNPRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334095-B1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO (JP) 2005-01-19 EP disclosed
EP-1334095-A4 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO (JP) 2004-03-17 EP disclosed
US-6693203-B2 REACTING NOPINONE ENOLATE WITH ALKYL 7-HALO-5-HEPTYNOATE, REACTING PRODUCT WITH HYDROXYLAMINE, TREATING WITH TITANIUM TRICHLORIDE AND BORANE REAGENT, HYDROGENATING, REACTING WITH 5-HYDROXY-4-BENZOTHIOPHENECARBOXYLIC ACID, HYDROLYZING SHIONOGI & CO., LTD (JP) 2004-02-17 US disclosed
US-20030199702-A1 Process for the preparation of pgd2 antagonist LARSEN ROBERT (US) 2003-10-23 US disclosed
EP-1334095-A1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO., LTD. (JP) 2003-08-13 EP disclosed
WO-2002032892-A1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO., LTD (JP) 2002-04-25 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 (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-20030199702-A1 Process for the preparation of pgd2 antagonist PTGDR, PTGDR2, PTGER2 LMNA 2300/4885MAPK1 3271/4885CNR2 31/4885

“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.