SCHEMBL23110588

SCHEMBL23110588

COc1cccc(S(=O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ERN1 O75460 2/20 0.39
CA4 P22748 1/20 0.38
KAT6A Q92794 1/20 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
SCHEMBL30785063 0.80 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL6784765 0.80 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL6535599 0.79 NFE2L2 (0.45) CA1CA2CA12CA7CA9
SCHEMBL7521503 0.79 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL11306042 0.79 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL7509528 0.79 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL7509892 0.79 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL28392341 0.79 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL630768 0.75 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL27509890 0.74 APP (0.44) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078956-A1 PROCESS FOR PREPARING ELAGOLIX SODIUM AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN, LTD. (TW) 2021-03-18 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-20210078956-A1 PROCESS FOR PREPARING ELAGOLIX SODIUM AND INTERMEDIATES THEREOF OGG1, ELP1, UNG CA1 3496/4885CA2 3055/4885CA12 2577/4885

“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.