SCHEMBL21392044

SCHEMBL21392044

CC(C)(C)OC(=O)c1ccc(-c2cncc(C(F)(F)F)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 12/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CHEK1 O14757 2/20 0.43
PDK2 Q15119 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
CTPS2 Q9NRF8 2/20 0.38
SCN2A Q99250 1/20 0.36

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
SCHEMBL24369756 0.86 CTPS1 (0.49) CTPS1CA12CA1CA2CA9
SCHEMBL24088639 0.82 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL24088640 0.82 L3MBTL1 (0.43) CTPS1CA12CA1CA2CA9
SCHEMBL24088754 0.81 CA12 (0.46) CTPS1CA12CA1CA2CA9
SCHEMBL21391994 0.80 CHEK1 (0.56) CTPS1CHEK1
SCHEMBL25098529 0.80 CTPS1 (0.45) CTPS1CA1CA2CHEK1SCN10A
SCHEMBL29253937 0.80 PDK2 (0.45) CA12CA1CA2CA9CA14
SCHEMBL30416354 0.79 CHEK1 (0.50) CTPS1CHEK1
SCHEMBL21392100 0.77 CA12 (0.42) CTPS1CA12CA1CA2CA9
SCHEMBL21392102 0.77 CTPS1 (0.47) CTPS1CA12CA1CA2CA9

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 10 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
US-20250263407-A1 Compounds STEP PHARMA S.A.S. (FR) 2025-08-21 US 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-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO 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 (5 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 CTPS1 2556/4885CA12 247/4885CA1 804/4885
US-20250263407-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CTPS1 2586/4885CA12 195/4885CA1 629/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CTPS1 2586/4885CA12 195/4885CA1 629/4885
US-20210380575-A1 COMPOUNDS UGT1A1, CYP1A1, CYP1B1 CTPS1 2556/4885CA12 247/4885CA1 804/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CTPS1 2586/4885CA12 195/4885CA1 629/4885

“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.