SCHEMBL30868599

SCHEMBL30868599

O=S(=O)(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MMP2 P08253 9/20 0.48
MMP9 P14780 9/20 0.48
MMP13 P45452 6/20 0.48
MMP14 P50281 6/20 0.48
MMP3 P08254 5/20 0.48
MMP8 P22894 5/20 0.48
MMP1 P03956 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
KIF11 P52732 3/20 0.46
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL230582 0.88 KIF11 (0.55) CA1CA2CA9MMP1KIF11
SCHEMBL15568689 0.86 KIF11 (0.53) CA1CA2CA9MMP1KIF11
SCHEMBL6115108 0.86 KIF11 (0.53) CA1CA2CA9MMP1KIF11
Hydrochloric Acid SCHEMBL4589695 0.86 KIF11 (0.53) CA1CA2CA9MMP1KIF11
SCHEMBL6306030 0.84 ENPP3 (0.56) CA1CA2CA9KIF11ALDH1A1
Ethylene SCHEMBL28421049 0.84 KIF11 (0.52) CA1CA2CA9MMP1KIF11
SCHEMBL6090901 0.84 ALDH1A1 (0.58) ALDH1A1HTTNPC1LMNATP53
SCHEMBL9249636 0.84 ALDH1A1 (0.58) ALDH1A1HTTNPC1LMNATP53
SCHEMBL2894832 0.82 KIF11 (0.66) MMP2MMP9MMP13MMP3MMP1
SCHEMBL28521152 0.82 ALDH1A1 (0.56) ALDH1A1HTTNPC1LMNATP53

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-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS MERCK SHARP & DOHME LLC (US) 2024-03-14 US claimed

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-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS TEAD2, TEAD3, TEAD4 CA1 4707/4885CA2 2371/4885CA9 1942/4885

“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.