SCHEMBL20920719

SCHEMBL20920719

CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(C)=O)cc2)C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.71
ABCC3 O15438 1/20 0.71
ABCC4 O15439 1/20 0.71
ABCB11 O95342 1/20 0.71
CYP2C9 P11712 1/20 0.71
TBXA2R P21731 1/20 0.71
AKR1C3 P42330 1/20 0.71
KMT2A Q03164 1/20 0.71
AKR1C1 Q04828 1/20 0.71
NR1I3 Q14994 1/20 0.71
HIF1A Q16665 1/20 0.71
KCNH2 Q12809 1/20 0.45
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL19096540 0.93 MEN1 (0.73) MEN1ABCC3ABCC4ABCB11CYP2C9
SCHEMBL8207626 0.91 MEN1 (0.70) MEN1ABCC3ABCC4ABCB11CYP2C9
SCHEMBL20920718 0.90 CYP2C9 (0.75) MEN1ABCC3ABCC4ABCB11CYP2C9
SCHEMBL14521888 0.90 KMT2A (0.69) MEN1ABCC3ABCC4ABCB11CYP2C9
SCHEMBL11198683 0.88 CYP2C9 (0.71) MEN1ABCC3ABCC4ABCB11CYP2C9
SCHEMBL28623676 0.86 KMT2A (0.64) MEN1ABCC3ABCC4ABCB11CYP2C9
SCHEMBL14371709 0.86 MEN1 (0.64) MEN1ABCC3ABCC4ABCB11CYP2C9
SCHEMBL14544499 0.85 MEN1 (0.63) MEN1ABCC3ABCC4ABCB11CYP2C9
SCHEMBL28605437 0.84 KMT2A (0.62) MEN1ABCC3ABCC4ABCB11CYP2C9
SCHEMBL11189249 0.84 CYP2C9 (0.86) MEN1ABCC3ABCC4ABCB11CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10265692-B2 Ex vivo methods for predicting and confirming in vivo metabolism of pharmaceutically active compounds EMPIRIKO CORPORATION (US) 2019-04-23 US 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-10265692-B2 Ex vivo methods for predicting and confirming in vivo metabolism of pharmaceutically active compounds CYP3A43, CYP3A4, CYP2D6 MEN1 2675/4885ABCC3 514/4885ABCC4 658/4885

“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.