SCHEMBL9155140

SCHEMBL9155140

Cc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.61
ALDH1A1 P00352 13/20 0.59
GAA P10253 3/20 0.59
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
HPGD P15428 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPK1 P28482 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 5/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 5/20 0.52
PKM P14618 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
APP P05067 1/20 0.52

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
SCHEMBL1935202 0.93 HPGD (0.67) GFERALDH1A1GAAMEN1KMT2A
SCHEMBL1936658 0.93 GFER (0.72) GFERALDH1A1GAAMEN1KMT2A
SCHEMBL15631695 0.89 GFER (0.53) GFERALDH1A1GAAMEN1KMT2A
Isovanillin SCHEMBL1936859 0.86 HPGD (0.63) GFERALDH1A1GAAMEN1KMT2A
SCHEMBL9197679 0.84 ALDH1A1 (0.55) GFERALDH1A1GAAMEN1KMT2A
SCHEMBL8241642 0.83 ALDH1A1 (0.54) GFERALDH1A1GAAMEN1KMT2A
SCHEMBL13435291 0.83 GFER (0.51) GFERALDH1A1GAAMEN1KMT2A
SCHEMBL13435517 0.83 GFER (0.51) GFERALDH1A1GAAMEN1KMT2A
SCHEMBL31013906 0.83 GFER (0.50) GFERALDH1A1GAAMEN1KMT2A
SCHEMBL9155147 0.81 ALDH1A1 (0.52) GFERALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087475-A1 PHARMACEUTICAL COMPOUNDS Biovali Laboratories International (Barbados) S.R.L. (BB) 2010-04-08 US disclosed
US-20100087475-A1 PHARMACEUTICAL COMPOUNDS Biovali Laboratories International (Barbados) S.R.L. (BB) 2010-04-08 US disclosed
WO-2010026436-A2 PHARMACEUTICAL COMPOUNDS BIOVAIL LABORATORIES INTERNATIONAL (BARBADOS) SRL (BB) 2010-03-11 WO disclosed
EP-0510445-B1 Acid-cleavable radiation-sensitive compounds, radiation-sensitive composition containing the same and radiation-sensitive recording material prepared therefrom HOECHST AG (DE) 1995-08-09 EP disclosed
EP-0510444-B1 Acid-cleavable radiation-sensitive compounds, radiation-sensitive composition containing the same and radiation-sensitive recording material prepared therefrom HOECHST AG (DE) 1995-02-01 EP disclosed
US-5346804-A Acid-cleavable radiation-sensitive compounds, positive working radiation-sensitive mixture containing theses compounds, and radiation-sensitive recording material produced with this mixture HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-13 US disclosed
US-5346806-A Acid-cleavable radiation-sensitive compounds, radiation-sensitive mixture containing these compounds, and radiation-sensitive recording material produced with this mixture HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-13 US disclosed
EP-0510444-A1 Acid-cleavable radiation-sensitive compounds, radiation-sensitive composition containing the same and radiation-sensitive recording material prepared therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed
EP-0510445-A1 Acid-cleavable radiation-sensitive compounds, radiation-sensitive composition containing the same and radiation-sensitive recording material prepared therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-28 EP 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-20100087475-A1 PHARMACEUTICAL COMPOUNDS UGT2B7, CYP3A7, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GFER 3891/4885ALDH1A1 292/4885GAA 37/4885

“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.