SCHEMBL12255257

SCHEMBL12255257

CCCCSc1ccccc1CC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 0.55
▸ EPHX2 P34913 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 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
SCHEMBL10175060 0.91 PTGS2 (0.51) PTGS2TSHRPOLBHSD17B10KDM4E
SCHEMBL9430367 0.78 LMNA (0.51) TSHRPOLBHSD17B10KDM4EALDH1A1
SCHEMBL6065023 0.78 CYSLTR2 (0.56) PTGS2EPHX2CYSLTR2CYSLTR1HPGD
SCHEMBL27261843 0.78 CYSLTR2 (0.56) PTGS2EPHX2CYSLTR2CYSLTR1HPGD
SCHEMBL26240068 0.76 CYP4F2 (0.45) KDM4EALDH1A1
SCHEMBL9727526 0.76 APOBEC3G (0.53) PTGS2EPHX2NPSR1CYSLTR2CYSLTR1
SCHEMBL1554320 0.75 KDM4E (0.53) TSHRPOLBHSD17B10KDM4EALDH1A1
SCHEMBL28366194 0.74 TSHR (0.51) TSHRHSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL9891121 0.74 KDM4E (0.45) TSHRPOLBHSD17B10KDM4EALDH1A1
SCHEMBL28267934 0.74 LIPG (0.51) PTGS2CYSLTR2CYSLTR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 — — US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 — — US 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-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG PTGS2 2310/4885EPHX2 3281/4885TSHR 961/4885

“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.

Send feedback