SCHEMBL13611896

SCHEMBL13611896

CC(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.49
ANPEP P15144 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 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
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
TACR3 P29371 3/20 0.43
TACR1 P25103 2/20 0.43
POLB P06746 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
SCHEMBL11742771 0.83 MEN1 (0.48) ANPEPKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL12863009 0.83 MEN1 (0.48) ANPEPKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL4598033 0.80 CTSK (0.67) GPR88MAPTCTSSCTSK
SCHEMBL4598036 0.80 CTSK (0.67) GPR88MAPTCTSSCTSK
SCHEMBL19652060 0.80 TACR3 (0.46) GPR88ANPEPKDM4EALDH1A1HTT
SCHEMBL5170849 0.80 TACR3 (0.46) GPR88ANPEPKDM4EALDH1A1HTT
SCHEMBL9152358 0.79 MAPT (0.46) GPR88KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL9152364 0.79 MAPT (0.46) GPR88KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL12862989 0.79 KMT2A (0.53) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL12863008 0.76 CTSS (0.49) KDM4EALDH1A1HTTSMN1; SMN2MAPT

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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. 2009-11-26 US disclosed
US-7524883-B2 Eponemycin and epoxomicin analogs and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF PSMC4, PSMB6, EPOR GPR88 2865/4885ANPEP 656/4885KDM4E 1051/4885

“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.