SCHEMBL10281162

SCHEMBL10281162

COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)N(C(=O)NC3CCCCC3)C(C)C)cc1)C(=O)C2(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.76
CYP2C9 P11712 2/20 0.76
HPGD P15428 2/20 0.76
LMNA P02545 2/20 0.76
KDM4E B2RXH2 1/20 0.76
ABCC3 O15438 1/20 0.76
ABCC4 O15439 1/20 0.76
NR1I2 O75469 1/20 0.76
ABCB11 O95342 1/20 0.76
NR3C1 P04150 1/20 0.76
RARA P10276 1/20 0.76
RARB P10826 1/20 0.76
RARG P13631 1/20 0.76
TBXA2R P21731 1/20 0.76
HTR2A P28223 1/20 0.76
NR1H2 P55055 1/20 0.76
PDE4D Q08499 1/20 0.76
NR1H3 Q13133 1/20 0.76
PDE3A Q14432 1/20 0.76
NR1I3 Q14994 1/20 0.76

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
SCHEMBL11929012 0.92 CYP3A4 (0.76) CYP3A4CYP2C9HPGDLMNAKDM4E
SCHEMBL18388618 0.92 CYP3A4 (0.75) CYP3A4CYP2C9HPGDLMNAKDM4E
SCHEMBL20369287 0.90 CYP3A4 (0.72) CYP3A4CYP2C9HPGDLMNAKDM4E
Gliquidone SCHEMBL29465034 0.86 LMNA (1.00) CYP3A4CYP2C9HPGDLMNAKDM4E
Gliquidone SCHEMBL15669239 0.86 LMNA (1.00) CYP3A4CYP2C9HPGDLMNAKDM4E
Gliquidone SCHEMBL37769 0.86 LMNA (1.00) CYP3A4CYP2C9HPGDLMNAKDM4E
Gliquidone SCHEMBL676846 0.85 LMNA (0.98) CYP3A4CYP2C9HPGDLMNAKDM4E
SCHEMBL25866045 0.81 CYP3A4 (0.75) CYP3A4CYP2C9HPGDLMNAKDM4E
SCHEMBL8216020 0.79 LMNA (0.87) CYP3A4CYP2C9HPGDLMNAKDM4E
SCHEMBL6165422 0.78 KDM4E (0.60) CYP3A4CYP2C9HPGDLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194732-A1 MULTI-API LOADING PRODRUGS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20160024011-A1 Multi-API Loading Prodrugs ALKERMES PHARMA IRELAND LTD (IE) 2016-01-28 US disclosed
US-20120202823-A1 Multi-API Loading Prodrugs ALKERMES, INC. 2012-08-09 US disclosed
WO-2012088441-A1 MULTI- API LOADING PRODRUGS ALKERMES, INC. (US) 2012-06-28 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 (3 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-20160024011-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 CYP3A4 69/4885CYP2C9 30/4885HPGD 2055/4885
US-20120202823-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 CYP3A4 69/4885CYP2C9 30/4885HPGD 2055/4885
US-20180194732-A1 MULTI-API LOADING PRODRUGS AADAC, PAICS, ABCG2 CYP3A4 69/4885CYP2C9 30/4885HPGD 2055/4885

“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.