SCHEMBL21392043

SCHEMBL21392043

CC(C)(C)OC(=O)c1ccc(-c2cncc(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PDK2 Q15119 1/20 0.47
RXRA P19793 3/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
CYP11B2 P19099 4/20 0.42
CYP11B1 P15538 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
MAP4K4 O95819 2/20 0.41
PIK3CD O00329 1/20 0.40
CTPS1 P17812 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 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
SCHEMBL30415893 1.00 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL24088710 0.83 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL24088753 0.82 CA12 (0.51) CA12CA1CA2CA9CA14
SCHEMBL18608496 0.81 RXRA (0.53) CA12CA1CA2CA9CA14
SCHEMBL21392125 0.80 RXRA (0.68) RXRARXRBRXRGKDM1AHDAC1
SCHEMBL30416919 0.80 RXRA (0.68) RXRARXRBRXRGKDM1AHDAC1
SCHEMBL30416364 0.79 MKNK1 (0.62) RXRARXRBRXRGCYP11B2CYP11B1
SCHEMBL11887279 0.77 CES2 (0.55) CA12CA1CA2CA9CA14
SCHEMBL6350965 0.77 CA12 (0.71) CA12CA1CA2CA9CA14
SCHEMBL38655656 0.75 CA12 (0.47) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717465-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 EP disclosed
EP-3768674-B1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2024-01-03 EP disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20230183229-A1 Compounds SYGNATURE DISCOVERY LIMITED (GB) 2023-06-15 US disclosed
US-20210380575-A1 COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2021-12-09 US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US disclosed
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO 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 (4 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-20230183229-A1 Compounds UGT1A1, CYP1A1, CYP1B1 CA12 247/4885CA1 804/4885CA2 2365/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CA12 195/4885CA1 629/4885CA2 2011/4885
US-20210380575-A1 COMPOUNDS UGT1A1, CYP1A1, CYP1B1 CA12 247/4885CA1 804/4885CA2 2365/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CA12 195/4885CA1 629/4885CA2 2011/4885

“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.