SCHEMBL21044247

SCHEMBL21044247

COC(=O)C(C)(C)c1csc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
GABRA5 P31644 1/20 0.41
GABRB2 P47870 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NOS1 P29475 1/20 0.37
POLB P06746 1/20 0.36
PIK3CG P48736 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL2322489 0.83 TSHR (0.61) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL4683949 0.82 TSHR (0.47) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL21044292 0.81 KMT2A (0.37) TSHRHSD17B10HPGDHTTALDH1A1
SCHEMBL1807562 0.80 KMT2A (0.36) TSHRHSD17B10HPGDHTTALDH1A1
SCHEMBL27953284 0.78 TSHR (0.52) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL27183840 0.76 MAPT (0.43) TSHRHPGDHTTALDH1A1SMN1; SMN2
SCHEMBL27183942 0.76 RAB9A (0.47) TSHRHSD17B10ALDH1A1SMN1; SMN2KMT2A
SCHEMBL27183784 0.76 KDM4E (0.43) TSHRHSD17B10HPGDHTTALDH1A1
SCHEMBL22869127 0.74 KMT2A (0.43) TSHRHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4255129 0.74 TSHR (0.45) TSHRGABRA5GABRB2HSD17B10HPGD

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 11 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-12503466-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2025-12-23 US disclosed
US-20240010645-A1 Aminothiazole Compounds as Inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2024-01-11 US 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-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
US-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 US disclosed
EP-3717459-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2020-10-07 EP 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 (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-12503466-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 TSHR 3556/4885GABRA5 4137/4885GABRB2 2961/4885
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 TSHR 3556/4885GABRA5 4137/4885GABRB2 2961/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 TSHR 4078/4885GABRA5 3075/4885GABRB2 910/4885
US-20240010645-A1 Aminothiazole Compounds as Inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 TSHR 3556/4885GABRA5 4137/4885GABRB2 2961/4885

“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.