SCHEMBL13401124

SCHEMBL13401124

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
GAA P10253 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 4/20 0.42
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13401129 0.80 KDM4E (0.47) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL13401130 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL13401127 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL3210615 0.75 GFER (0.55) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL13401121 0.74 KDM4E (0.59) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL1936323 0.74 KDM4E (0.59) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL2807183 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1CYP1A2LMNA
SCHEMBL13401128 0.74 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL9155140 0.73 GFER (0.61) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL38485900 0.72 ATM (0.65) ALDH1A1KMT2AMEN1HTTCA12

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 3 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

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 ALDH1A1 292/4885KMT2A 2731/4885MEN1 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.