SCHEMBL6151681

SCHEMBL6151681

O=C(O)c1c(O)ccc2sccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
GPR35 Q9HC97 2/20 0.39
DAO P14920 2/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
CSNK2A2 P19784 6/20 0.35
CSNK2B P67870 6/20 0.35
CSNK2A1 P68400 6/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL14902928 0.78 GPR35 (0.47) GPR35DAOXDHSLC22A12CSNK2A2
SCHEMBL3238461 0.74 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3936083 0.73 LDHA (0.47) CA12CA1CA2CA7CA9
SCHEMBL2971000 0.71 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL29419955 0.71 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL20562476 0.69 POLB (0.42) CSNK2A1KDM4EMAPTGAAALDH1A1
SCHEMBL20562338 0.69 ESR1 (0.35) KDM4EMAPTGAAALDH1A1HTT
SCHEMBL20563419 0.69 MAPT (0.42) KDM4EMAPTGAAALDH1A1HTT
SCHEMBL10934474 0.69 MAPT (0.34) KDM4EMAPTGAAALDH1A1HTT
SCHEMBL3483612 0.69 CYP3A4 (0.39) KDM4EMAPTGAAALDH1A1HTT

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 claimed
EP-1334095-A4 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO (JP) 2004-03-17 EP claimed
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 claimed
US-20030199702-A1 Process for the preparation of pgd2 antagonist LARSEN ROBERT (US) 2003-10-23 US claimed
EP-1334095-A1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO., LTD. (JP) 2003-08-13 EP claimed
WO-2002032892-A1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO., LTD (JP) 2002-04-25 WO claimed

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 CA12 4865/4885CA1 4720/4885CA2 3405/4885

“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.