SCHEMBL13065320

SCHEMBL13065320

OB(O)c1ccc(C(F)F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ ENPP2 Q13822 5/20 0.34
▸ MGLL Q99685 2/20 0.34
▸ TTR P02766 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ ORAI1 Q96D31 1/20 0.33
▸ ORAI2 Q96SN7 1/20 0.33
▸ ORAI3 Q9BRQ5 1/20 0.33
▸ TRPV6 Q9H1D0 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
SCHEMBL13065321 0.85 ENPP2 (0.39) CA1CA2ENPP2MGLLTTR
SCHEMBL29636030 0.85 ENPP2 (0.39) CA1CA2ENPP2MGLLTTR
SCHEMBL16379257 0.82 CA2 (0.41) CA1CA2ENPP2MGLLTTR
SCHEMBL12098132 0.79 PDE2A (0.51) CA1CA2ENPP2TTR
SCHEMBL24852481 0.76 CA2 (0.37) CA1CA2ENPP2TTR
SCHEMBL22023199 0.76 GRM1 (0.42) —
SCHEMBL128893 0.75 ENPP2 (0.46) CA1CA2ENPP2MGLLTTR
SCHEMBL13158680 0.73 PDE2A (0.32) CA1CA2
SCHEMBL28490899 0.73 ENPP2 (0.44) CA1CA2ENPP2MGLLTTR
SCHEMBL25459623 0.71 ESR1 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 — — US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 — — 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CA1 3253/4885CA2 921/4885ENPP2 4417/4885

“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.

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