SCHEMBL21044359

SCHEMBL21044359

CCOC(=O)C1CCc2sc(NS(=O)(=O)C3CC3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
RECQL P46063 1/20 0.41
PDK1 Q15118 1/20 0.36
PARP1 P09874 1/20 0.35
CTPS1 P17812 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CTPS2 Q9NRF8 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
DHODH Q02127 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL21044296 0.93 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL21044474 0.82 CTPS1 (0.35) CTPS1
SCHEMBL1155419 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL1155477 0.76 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL1155494 0.76 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL13196218 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL1155871 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL1155828 0.75 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL21044054 0.75 CTPS1 (0.34) ALDH1A1HSD17B10GAACTPS1SMN1; SMN2
SCHEMBL22490826 0.72 GAA (0.55) ALDH1A1MEN1KMT2AHSD17B10KDM4E

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 6 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-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 ALDH1A1 3425/4885MEN1 4301/4885KMT2A 4442/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 ALDH1A1 181/4885MEN1 192/4885KMT2A 4127/4885

“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.