SCHEMBL13435291

SCHEMBL13435291

Cc1ccc(S(=O)(=O)Oc2cc(C=O)ccc2CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.51
ALDH1A1 P00352 14/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GAA P10253 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
MAPK1 P28482 2/20 0.48
APP P05067 1/20 0.47
LMNA P02545 5/20 0.46
HTT P42858 2/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
PKM P14618 3/20 0.44
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL13435517 0.90 GFER (0.51) GFERALDH1A1MEN1KMT2AGAA
SCHEMBL5955378 0.84 ALDH1A1 (0.47) GFERALDH1A1MEN1KMT2AGAA
SCHEMBL9155140 0.83 GFER (0.61) GFERALDH1A1MEN1KMT2AGAA
SCHEMBL13435293 0.82 KMT2A (0.48) GFERALDH1A1MEN1KMT2AGAA
SCHEMBL1936658 0.80 GFER (0.72) GFERALDH1A1MEN1KMT2AGAA
SCHEMBL1935202 0.80 HPGD (0.67) GFERALDH1A1MEN1KMT2AGAA
SCHEMBL15631695 0.79 GFER (0.53) GFERALDH1A1MEN1KMT2AGAA
SCHEMBL13435295 0.79 KMT2A (0.45) GFERALDH1A1MEN1KMT2AGAA
SCHEMBL6148121 0.77 MEN1 (0.58) ALDH1A1MEN1KMT2AGAACYP3A4
SCHEMBL9197679 0.77 ALDH1A1 (0.55) GFERALDH1A1MEN1KMT2AGAA

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 2 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
WO-2010026436-A2 PHARMACEUTICAL COMPOUNDS BIOVAIL LABORATORIES INTERNATIONAL (BARBADOS) SRL (BB) 2010-03-11 WO 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 292/4885MEN1 2603/4885

“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.