SCHEMBL13435295

SCHEMBL13435295

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 3/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PSEN1 P49768 5/20 0.40
PSEN2 P49810 5/20 0.40
APH1B Q8WW43 5/20 0.40
NCSTN Q92542 5/20 0.40
APH1A Q96BI3 5/20 0.40
PSENEN Q9NZ42 5/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL13435293 0.91 KMT2A (0.48) KMT2AGAAMEN1ESR1ESR2
SCHEMBL13435518 0.90 KMT2A (0.45) KMT2AGAAMEN1ESR1ESR2
SCHEMBL5955978 0.85 CYP1A2 (0.46) KMT2AGAAMEN1ESR1ESR2
SCHEMBL13401127 0.85 ALDH1A1 (0.47) KMT2AGAAMEN1ESR1ESR2
SCHEMBL13435292 0.85 KMT2A (0.43) KMT2AGAAMEN1ESR1ESR2
SCHEMBL13435297 0.84 KMT2A (0.42) KMT2AGAAMEN1ESR1ESR2
SCHEMBL1937051 0.81 GFER (0.56) KMT2AGAAMEN1ALDH1A1LMNA
SCHEMBL1936395 0.81 LMNA (0.50) KMT2AGAAMEN1ALDH1A1LMNA
SCHEMBL13435514 0.80 KMT2A (0.48) KMT2AGAAMEN1ESR1ESR2
SCHEMBL13401130 0.79 ALDH1A1 (0.50) KMT2AGAAMEN1ESR1ESR2

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 KMT2A 2731/4885GAA 37/4885MEN1 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.