SCHEMBL21381643

SCHEMBL21381643

CCOC(=O)C(F)(F)c1ccnc(S(C)(=O)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ TP53 P04637 4/20 0.43
▸ MAPK1 P28482 4/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.43
▸ TLR9 Q9NR96 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ ALOX15 P16050 2/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ HPGD P15428 3/20 0.38
▸ BCL2A1 Q16548 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ BID P55957 1/20 0.38
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37

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
SCHEMBL17420686 0.80 KDM4E (0.46) MAPK1NPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17420663 0.77 ALDH1A1 (0.39) HTTMAPK1MAPTALDH1A1NPC1
SCHEMBL1183883 0.75 SDHB (0.50) HTTHSD17B10TP53MAPK1NPSR1
SCHEMBL7407862 0.73 MAPT (0.55) HTTHSD17B10TP53MAPK1NPSR1
SCHEMBL17420592 0.73 MAPK1 (0.40) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL17329 0.72 SDHB (0.41) HTTHSD17B10TP53MAPK1NPSR1
SCHEMBL1171499 0.72 POLB (0.47) HTTHSD17B10MAPK1NPSR1MAPT
SCHEMBL17420517 0.72 MAPT (0.45) HTTMAPK1NPSR1MAPTALDH1A1
SCHEMBL28402473 0.71 ALDH1A1 (0.40) MAPK1NPSR1ALDH1A1NPC1LMNA
SCHEMBL29849887 0.71 NOS1 (0.42) HTTNPSR1MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868051-B Aminopyrimidine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2024-04-09 — — CN 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-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 — — US disclosed
US-20230020663-A1 SULFONAMIDE INHIBITORS AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2023-01-19 — — US disclosed
US-20230002352-A1 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2023-01-05 — — US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 — — US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 — — US disclosed
EP-3768674-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2021-01-27 — — EP disclosed
CN-111868051-A Aminopyrimidine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2020-10-30 — — CN disclosed
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 — — WO disclosed
WO-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 — — WO 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 (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-20230020663-A1 SULFONAMIDE INHIBITORS AS CTPS1 INHIBITORS CTPS1, CTPS2, TYMS HTT 3939/4885HSD17B10 2336/4885TP53 574/4885
US-20230002352-A1 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS CTPS1, CTPS2, TYMS HTT 4173/4885HSD17B10 2420/4885TP53 472/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 HTT 3313/4885HSD17B10 301/4885TP53 1267/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 HTT 3313/4885HSD17B10 301/4885TP53 1267/4885

“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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