SCHEMBL25909219

SCHEMBL25909219

CCc1ccc(COS(=O)(=O)c2ccc(C)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
RXRA P19793 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.38
VDR P11473 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
CD4 P01730 2/20 0.36
STAT3 P40763 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL25909525 0.87 STAT3 (0.39) CA2CA1CA9CYP1A2CYP2D6
SCHEMBL30292889 0.86 HRH3 (0.44) HRH3CA2CA1CA9RXRA
SCHEMBL4316004 0.86 HRH3 (0.44) HRH3CA2CA1CA9RXRA
SCHEMBL23977388 0.82 ALDH1A1 (0.40) CA2CA1CA9CYP1A2CYP2D6
SCHEMBL31723841 0.82 SMN1; SMN2 (0.45) RXRAGRIN1GRIN2BALDH1A1MAPT
SCHEMBL5870520 0.81 CA2 (0.56) CA2CA1CA9KDM4EALDH1A1
SCHEMBL25972575 0.80 STAT3 (0.38) CA2CA1CA9CYP1A2CYP2D6
SCHEMBL31723903 0.80 MBOAT4 (0.37) CA1CA9RXRAGRIN1GRIN2B
SCHEMBL23977288 0.78 CA1 (0.35) CA2CA1CA9ALDH1A1VDR
SCHEMBL282074 0.78 CA1 (0.46) CA2CA1CA9ALDH1A1STAT3

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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 HRH3 1667/4885CA2 4488/4885CA1 3800/4885

“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.