SCHEMBL13401129

SCHEMBL13401129

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
CYP1A2 P05177 5/20 0.47
TAAR1 Q96RJ0 3/20 0.47
CYP2A6 P11509 1/20 0.47
GAA P10253 5/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
P2RY12 Q9H244 1/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL1936323 0.93 KDM4E (0.59) KDM4EATMCYP1A2TAAR1CYP2A6
SCHEMBL13401121 0.93 KDM4E (0.59) KDM4EATMCYP1A2TAAR1GAA
SCHEMBL13435515 0.85 KMT2A (0.43) KDM4EATMCYP1A2TAAR1CYP2A6
SCHEMBL13435292 0.85 KMT2A (0.43) KDM4EATMCYP1A2TAAR1CYP2A6
SCHEMBL13401127 0.82 ALDH1A1 (0.47) CYP1A2GAAALDH1A1KMT2AMEN1
SCHEMBL13401130 0.82 ALDH1A1 (0.50) CYP1A2GAAALDH1A1KMT2AMEN1
SCHEMBL3210615 0.81 GFER (0.55) CYP1A2GAAALDH1A1KMT2AMEN1
SCHEMBL13401124 0.80 ALDH1A1 (0.44) CYP1A2GAAALDH1A1KMT2AMEN1
SCHEMBL3841176 0.79 KMT2A (0.42) CYP1A2GAAALDH1A1KMT2AMEN1
SCHEMBL13401128 0.79 ALDH1A1 (0.46) ATMCYP1A2GAAALDH1A1KMT2A

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 KDM4E 1817/4885ATM 4404/4885CYP1A2 25/4885

“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.