SCHEMBL21044012

SCHEMBL21044012

COC(=O)C(C)(C)c1csc(NS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM1A O60341 1/20 0.45
CTPS1 P17812 7/20 0.43
CTPS2 Q9NRF8 4/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL21044009 0.89 CTPS1 (0.44) KMT2AMEN1CTPS1CTPS2POLB
SCHEMBL21044568 0.86 KDM1A (0.47) KMT2AMEN1KDM1ACTPS1CTPS2
SCHEMBL22869127 0.85 KMT2A (0.43) KMT2AMEN1CTPS1CTPS2POLB
SCHEMBL22869126 0.83 CTPS1 (0.44) KMT2AMEN1CTPS1CTPS2POLB
SCHEMBL21044168 0.82 CTPS1 (0.43) KMT2AMEN1CTPS1CTPS2POLB
SCHEMBL21044015 0.80 CTPS1 (0.58) KMT2AMEN1CTPS1CTPS2ATAD2
SCHEMBL21044395 0.79 CTPS1 (0.39) KMT2AMEN1CTPS1CTPS2POLB
SCHEMBL22869171 0.79 KMT2A (0.41) KMT2AMEN1CTPS1CTPS2POLB
SCHEMBL21044083 0.79 CTPS1 (0.39) KMT2AMEN1CTPS1CTPS2POLB
SCHEMBL21076799 0.75 CTPS1 (0.46) KMT2AMEN1CTPS1CTPS2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717459-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 EP disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 US disclosed
US-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 US disclosed
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 EP disclosed
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 EP 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 (2 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-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 KMT2A 4442/4885MEN1 4301/4885KDM1A 4398/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 KMT2A 4127/4885MEN1 192/4885KDM1A 3630/4885

“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.