SCHEMBL22700995

SCHEMBL22700995

C/C=C/CN1CCN(C/C=C/C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
F2 P00734 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
CTRC Q99895 1/20 0.31
GAA P10253 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
SCHEMBL25752165 0.79 F2 (0.35) F2ELANECTSGCTRC
SCHEMBL7770113 0.74 PER2 (0.35) F2ELANECTSGCTRCGAA
SCHEMBL6543606 0.74 PIK3CD (0.50) ALDH1A1MAPK1
SCHEMBL9129409 0.71 L3MBTL1 (0.45) ALDH1A1MAPK1GAA
SCHEMBL27797024 0.71 CYP3A4 (0.38) ALDH1A1F2ELANECTSGCTRC
SCHEMBL329869 0.71 F2 (0.45) ALDH1A1F2ELANECTSGCTRC
SCHEMBL462082 0.70 CYP3A4 (0.46) ALDH1A1GAA
SCHEMBL22700978 0.70 DPP4 (0.35) ALDH1A1
SCHEMBL11560070 0.67 FAAH (0.38) CA12CA2CA9GAA
SCHEMBL21410483 0.67 FAAH (0.38) CA12CA2CA9GAA

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-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS SHIKOKU CHEMICALS CORPORATION (JP) 2020-11-26 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-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS TMT1A, CTH, SLC7A11 ALDH1A1 81/4885MAPK1 3313/4885CA12 3722/4885
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds TMT1A, CTH, SLC7A11 ALDH1A1 81/4885MAPK1 3313/4885CA12 3722/4885

“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.