SCHEMBL22358990

SCHEMBL22358990

COC(=O)c1c(F)c(F)c(C(C)C)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ MAPT P10636 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GCGR P47871 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TAS1R3 Q7RTX0 6/20 0.35
▸ TAS1R1 Q7RTX1 6/20 0.35
▸ TAS1R2 Q8TE23 6/20 0.35
▸ RECQL P46063 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ESR1 P03372 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
SCHEMBL10136578 0.90 TSHR (0.43) TSHRMAPK1MAPTCA12CA1
SCHEMBL522175 0.84 TSHR (0.61) TSHRMAPK1MAPTCA12CA1
SCHEMBL1719721 0.82 TSHR (0.59) TSHRMAPK1MAPTCA12CA1
SCHEMBL7198377 0.80 TSHR (0.57) TSHRMAPK1MAPTCA12CA1
SCHEMBL522412 0.77 TSHR (0.53) TSHRMAPK1MAPTCA12CA1
SCHEMBL27511609 0.76 TSHR (0.53) TSHRMAPK1MAPTCA12CA1
SCHEMBL2878001 0.76 TSHR (0.53) TSHRMAPK1MAPTCA12CA1
SCHEMBL523604 0.76 TSHR (0.53) TSHRMAPK1MAPTCA12CA1
SCHEMBL12650279 0.76 LDHA (0.40) PKMSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL12413950 0.74 POLB (0.34) PKMSMN1; SMN2TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS MIDWESTERN UNIVERSITY 2021-04-01 — — US disclosed
US-10961211-B2 Isotopically-stabilized tetronimide compounds MIDWESTERN UNIVERSITY (US) 2021-03-30 — — US disclosed
US-20200262804-A1 Isotopically-Stabilized Tetronimide Compounds MIDWESTERN UNIVERSITY 2020-08-20 — — 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 (3 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-10961211-B2 Isotopically-stabilized tetronimide compounds ASPH, BACE1, DNPEP TSHR 846/4885MAPK1 3762/4885MAPT 2645/4885
US-20200262804-A1 Isotopically-Stabilized Tetronimide Compounds ASPH, BACE1, DNPEP TSHR 846/4885MAPK1 3762/4885MAPT 2645/4885
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS ASPH, BACE1, DNPEP TSHR 846/4885MAPK1 3762/4885MAPT 2645/4885

“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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