SCHEMBL22749259

SCHEMBL22749259

CCOC(=O)C1(c2ccnc(SC)n2)CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.52
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CTPS1 P17812 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ OPRD1 P41143 3/20 0.35
▸ OPRK1 P41145 3/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 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
SCHEMBL22749260 0.81 KMT2A (0.44) OPRM1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL22762433 0.81 OPRM1 (0.39) OPRM1KMT2AMEN1KDM4EOPRD1
SCHEMBL23121052 0.79 CTPS1 (0.43) OPRM1POLBCTPS1KMT2AOPRD1
SCHEMBL23235748 0.78 OPRD1 (0.42) OPRM1POLBALDH1A1TDP1KMT2A
SCHEMBL7421566 0.77 OPRM1 (0.65) OPRM1POLBKDM4EOPRD1OPRK1
SCHEMBL22758510 0.75 FFAR4 (0.36) KMT2AMEN1FFAR4NPC1RAB9A
SCHEMBL22995548 0.74 OPRM1 (0.41) OPRM1POLBALDH1A1OPRD1OPRK1
SCHEMBL22995497 0.73 OPRM1 (0.40) OPRM1POLBALDH1A1OPRD1OPRK1
SCHEMBL21410227 0.72 OPRM1 (0.40) OPRM1POLBALDH1A1TDP1KMT2A
SCHEMBL22758512 0.72 FFAR4 (0.35) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230020663-A1 SULFONAMIDE INHIBITORS AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2023-01-19 — — US disclosed
US-20230020663-A1 SULFONAMIDE INHIBITORS AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2023-01-19 — — US disclosed
US-20230002352-A1 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2023-01-05 — — US disclosed
US-20230002352-A1 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2023-01-05 — — US disclosed
EP-4041723-A2 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2022-08-17 — — EP disclosed
EP-4041715-A1 SULFONAMIDE INHIBITORS AS CTPS 1 INHIBITORS Step Pharma S.A.S. (FR) 2022-08-17 — — EP disclosed
EP-3980410-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) 2022-04-13 — — EP disclosed
WO-2021053403-A1 SULFONAMIDE INHIBITORS AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2021-03-25 — — WO disclosed
WO-2021053402-A2 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-03-25 — — WO disclosed
WO-2021053402-A2 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-03-25 — — WO disclosed
WO-2020245665-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) 2020-12-10 — — WO disclosed
WO-2020245665-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) 2020-12-10 — — WO 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-20230020663-A1 SULFONAMIDE INHIBITORS AS CTPS1 INHIBITORS CTPS1, CTPS2, TYMS OPRM1 4787/4885POLB 231/4885ALDH1A1 1517/4885
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 OPRM1 4713/4885POLB 141/4885ALDH1A1 2214/4885
US-20230002352-A1 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS CTPS1, CTPS2, TYMS OPRM1 4737/4885POLB 268/4885ALDH1A1 978/4885

“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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