SCHEMBL24009065

SCHEMBL24009065

CCOc1cccc2c(Cl)c(C#N)cnc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ EGFR P00533 4/20 0.41
▸ ERBB2 P04626 4/20 0.41
▸ SRC P12931 4/20 0.41
▸ SLC6A3 Q01959 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL24009072 0.86 SLC6A3 (0.40) ALDH1A1EGFRERBB2SRCSLC6A3
SCHEMBL6381401 0.86 HPGDS (0.54) EGFRERBB2SRCSLC6A3HPGDS
SCHEMBL24009068 0.83 EGFR (0.41) ALDH1A1EGFRERBB2SLC6A3ADORA2B
SCHEMBL4376539 0.80 KDM4E (0.50) EGFRERBB2SRCSLC6A3HPGDS
SCHEMBL5256736 0.80 IMPDH2 (0.48) EGFRERBB2SRCSLC6A3HPGDS
SCHEMBL8138356 0.78 ALDH1A1 (0.46) ALDH1A1EGFRADORA2BPKMGAA
SCHEMBL19889981 0.75 SLC6A3 (0.41) ALDH1A1EGFRSLC6A3KDM4E
SCHEMBL4742017 0.74 SRC (0.59) EGFRERBB2SRC
SCHEMBL1124839 0.74 NR1H2 (0.47) —
SCHEMBL24392645 0.72 HPGDS (0.51) SRCSLC6A3HPGDSKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 — — CN disclosed
EP-4146344-A1 IMINO SULFANONE INHIBITORS OF ENPP1 Volastra Therapeutics, Inc. (US) 2023-03-15 — — EP disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 — — US disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 — — US disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 — — WO disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 — — 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 (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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 ALDH1A1 1567/4885EGFR 4147/4885ERBB2 2359/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 ALDH1A1 1567/4885EGFR 4147/4885ERBB2 2359/4885

“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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