SCHEMBL19121772

SCHEMBL19121772

[N-]=[N+]=NCC(=O)N1CCN(S(=O)(=O)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30

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
SCHEMBL27165476 0.84 ALDH1A1 (0.38) POLBALDH1A1KDM4EMEN1USP2
SCHEMBL17318077 0.80 GAA (0.31) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL17848825 0.78 MEN1 (0.33) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL13655626 0.77 ATM (0.45) L3MBTL1ALDH1A1MEN1HPGDKMT2A
SCHEMBL18803167 0.76 GAA (0.42) POLBL3MBTL1KMT2ATDP1JAK2
SCHEMBL28395559 0.75 ATM (0.43) L3MBTL1ALDH1A1MEN1LMNAHPGD
SCHEMBL13655637 0.73 L3MBTL1 (0.48) POLBL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL29969222 0.73 CA2 (0.39) POLBKMT2AJAK2JAK1GAA
SCHEMBL17848849 0.72 JAK2 (0.33) JAK2JAK1
SCHEMBL15832603 0.70 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1LMNAHPGD

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-20240218376-A1 APTAMER-TYPE MULTI-WARHEAD COVALENT DRUG YANG, JAY (JP) 2024-07-04 — — US disclosed
US-20240218376-A1 APTAMER-TYPE MULTI-WARHEAD COVALENT DRUG YANG, JAY (JP) 2024-07-04 — — US disclosed
US-20170196985-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE 2017-07-13 — — 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 (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-20170196985-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF CYP2F1, NAF1, CYP2S1 POLB 2700/4885NPSR1 341/4885L3MBTL1 4222/4885
US-20240218376-A1 APTAMER-TYPE MULTI-WARHEAD COVALENT DRUG ACE2, WRN, SARS1 POLB 395/4885NPSR1 4202/4885L3MBTL1 2049/4885

“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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