SCHEMBL30339084

SCHEMBL30339084

O=S(=O)(Nc1cnccn1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ CTPS1 P17812 9/20 0.44
▸ CKS1B P61024 2/20 0.42
▸ SKP2 Q13309 2/20 0.42
▸ MAP4K1 Q92918 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ EDNRA P25101 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ABL1 P00519 1/20 0.36
▸ CYP17A1 P05093 1/20 0.36

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
SCHEMBL30338582 1.00 PTGS1 (0.46) PTGS1PTGS2CTPS1CKS1BSKP2
SCHEMBL30620587 0.77 CTPS1 (0.51) PTGS1PTGS2CTPS1CKS1BSKP2
SCHEMBL25153928 0.76 TSHR (0.38) CTPS1EDNRAACHEABL1
SCHEMBL30339075 0.75 TSHR (0.53) PTGS1PTGS2CKS1BSKP2TDP1
SCHEMBL14830949 0.75 TSHR (0.53) PTGS1PTGS2CKS1BSKP2TDP1
SCHEMBL31678766 0.74 PTGS1 (0.44) PTGS1PTGS2CTPS1CKS1BSKP2
SCHEMBL30339221 0.74 PTGS1 (0.44) PTGS1PTGS2CTPS1CKS1BSKP2
SCHEMBL4740343 0.73 ACHE (0.44) EDNRAACHE
SCHEMBL3432475 0.73 EDNRA (0.46) PTGS1PTGS2EDNRAACHE
SCHEMBL30562266 0.73 EDNRA (0.46) PTGS1PTGS2EDNRAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240269137-A1 HDAC6 INHIBITORS FOR TREATMENT OF DILATED CARDIOMYOPATHY TENAYA THERAPEUTICS, INC. 2024-08-15 — — US disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 — — US disclosed
US-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases STEP PHARMA S.A.S. (FR) 2023-03-23 — — US 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 (3 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-20240269137-A1 HDAC6 INHIBITORS FOR TREATMENT OF DILATED CARDIOMYOPATHY HDAC6, HDAC1, HDAC2 PTGS1 3640/4885PTGS2 3703/4885CTPS1 1538/4885
US-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases CTPS1, CTPS2, CERS2 PTGS1 551/4885PTGS2 897/4885CTPS1 1/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PTGS1 655/4885PTGS2 975/4885CTPS1 2586/4885

“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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