SCHEMBL25987838

SCHEMBL25987838

C=CS(=O)(=O)N[C@@H]1CCCC(CCN(C(=O)OC(C)(C)C)c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ EPHX2 P34913 4/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ SERPINE1 P05121 4/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LTC4S Q16873 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ DPP7 Q9UHL4 2/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL23389099 0.82 KDM2B (0.41) EPHX2
SCHEMBL23389098 0.82 KDM2B (0.41) EPHX2
SCHEMBL25993535 0.69 KDM2B (0.46) EPHX2
SCHEMBL3425497 0.67 SERPINE1 (0.45) L3MBTL1EPHX2SERPINE1TDP1NR1H4
SCHEMBL25987674 0.66 EPHX2 (0.51) EPHX2EPHX1
SCHEMBL25987700 0.66 EPHX2 (0.51) EPHX2EPHX1
SCHEMBL23389187 0.65 KDM2B (0.47) EPHX2
SCHEMBL23389185 0.65 KDM2B (0.47) EPHX2
SCHEMBL25987824 0.65 CHRM4 (0.42) EPHX2EPHX1SERPINE1CHRM4ALDH1A1
SCHEMBL25992522 0.64 BTK (0.38) EPHX2DPP4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — 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 (1 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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 L3MBTL1 794/4885EPHX2 3551/4885EPHX1 2787/4885

“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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