SCHEMBL21044504

SCHEMBL21044504

COC(=O)C(C)(C)c1nc(N)sc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HPGD P15428 2/20 0.44
NOS1 P29475 1/20 0.38
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 3/20 0.33
PKM P14618 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 3/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 2/20 0.31
NPC1 O15118 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL22491637 0.82 ALDH1A1 (0.40) ALDH1A1HPGDCYP1A2KDM4ESMN1; SMN2
SCHEMBL22491645 0.82 ALDH1A1 (0.40) ALDH1A1HPGDCYP1A2KDM4ESMN1; SMN2
SCHEMBL25916553 0.77 ALDH1A1 (0.44) ALDH1A1HPGDNOS1CYP1A2KDM4E
SCHEMBL4477578 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL2678408 0.72 NOS1 (0.52) ALDH1A1HPGDNOS1CYP1A2SMN1; SMN2
SCHEMBL21044109 0.69 CTPS1 (0.38)
SCHEMBL2325073 0.69 ALDH1A1 (0.54) ALDH1A1HPGDCYP1A2KDM4ESMN1; SMN2
SCHEMBL2321953 0.69 ALDH1A1 (0.54) ALDH1A1HPGDCYP1A2KDM4ESMN1; SMN2
SCHEMBL794531 0.68 ALDH1A1 (0.55) ALDH1A1HPGDNOS1CYP1A2KDM4E
SCHEMBL21044247 0.67 TSHR (0.48) ALDH1A1HPGDNOS1KDM4ESMN1; SMN2

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 7 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
WO-2023141262-A1 BAX ACTIVATORS AND USE THEREOF IPSEN PHARMA S.A.S. (FR) 2023-07-27 WO 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 3425/4885HPGD 2098/4885NOS1 2862/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 ALDH1A1 181/4885HPGD 951/4885NOS1 1178/4885

“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.