SCHEMBL24025663

SCHEMBL24025663

COC(=O)C1(C)CCN(S(=O)(=O)c2ccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 2/20 0.40
▸ TGM2 P21980 2/20 0.40
▸ TGM1 P22735 2/20 0.40
▸ NAMPT P43490 5/20 0.39
▸ PTGDR Q13258 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ AOC2 O75106 3/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MAOB P27338 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
SCHEMBL24025513 0.93 F13A1 (0.41) F13A1TGM2TGM1NAMPTPTGDR
SCHEMBL24025550 0.92 TGM2 (0.40) F13A1TGM2TGM1NAMPTPTGDR
SCHEMBL28589575 0.92 TGM2 (0.40) F13A1TGM2TGM1NAMPTPTGDR
SCHEMBL26288792 0.91 F13A1 (0.39) F13A1TGM2TGM1NAMPTPTGDR
SCHEMBL24057972 0.89 NAMPT (0.46) F13A1TGM2TGM1NAMPTPTGDR
SCHEMBL24025665 0.88 F13A1 (0.42) F13A1TGM2TGM1NAMPTPTGDR
SCHEMBL26284042 0.87 PTGDR (0.40) F13A1TGM2TGM1PTGDRAOC2
SCHEMBL26345593 0.87 PTGDR (0.40) F13A1TGM2TGM1PTGDRAOC2
SCHEMBL24025432 0.85 PKM (0.44) F13A1TGM2TGM1NAMPTAOC2
SCHEMBL23779145 0.85 NAMPT (0.39) F13A1TGM2TGM1NAMPTGPR119

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-20210353608-A1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-18 — — 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-20210353608-A1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ARSA, SULT1A1, SULT2A1 F13A1 2255/4885TGM2 4272/4885TGM1 3981/4885

“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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