SCHEMBL25838449

SCHEMBL25838449

O=C(O)c1c(O)cc(-c2ccc([SH](c3ccccc3)c3ccc(S(=O)(=O)C4CCCCC4)cc3)cc2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.40
MCL1 Q07820 1/20 0.39
ACLY P53396 1/20 0.38
PTGES O14684 2/20 0.35
ALOX5 P09917 1/20 0.35
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
MMP8 P22894 2/20 0.34
AKR1C3 P42330 2/20 0.34
MMP3 P08254 1/20 0.34
CCR6 P51684 2/20 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
CA14 Q9ULX7 1/20 0.33
NAMPT P43490 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL25503448 0.82 MMP8 (0.43) MMP8NAMPTDDIT3PIK3C3MMP1
SCHEMBL25838444 0.80 ACMSD (0.47) MCL1ALOX5AKR1C3CA12CA1
SCHEMBL25802948 0.80 MMP8 (0.44) MMP8NAMPTDDIT3PIK3C3MMP1
SCHEMBL25919234 0.78 MMP8 (0.38) ACLYMMP8AKR1C3CCR6NAMPT
SCHEMBL26261942 0.75 FFAR1 (0.40) ACLYPTGESALOX5ITGB1ITGA4
SCHEMBL25432674 0.75 ALDH1A1 (0.47) PTGESALOX5MMP8MMP3CCR6
SCHEMBL27439230 0.71 HSD17B2 (0.38) CCR6
SCHEMBL25723840 0.70 HTR2A (0.39) MMP8NAMPTMMP1MMP13
SCHEMBL776895 0.68 MAPT (0.55) MMP8MMP1MMP13
SCHEMBL6504053 0.67 ACMSD (0.59) MCL1ALOX5AKR1C3CA12CA1

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-11693313-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2023-07-04 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-11693313-B2 Resist composition and method of forming resist pattern C1R, C1S, C9 SPR 2264/4885MCL1 2124/4885ACLY 919/4885

“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.