SCHEMBL3497904

SCHEMBL3497904

COC(OC)C(CN(C(=O)O)C(C)(C)C)SCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.38
EPHX1 P07099 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL2976793 0.83 EPHX1 (0.34) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL3502527 0.77 MEN1 (0.46) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL2968659 0.74 L3MBTL1 (0.43) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL13203992 0.73 IDO1 (0.51) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL2656387 0.73 CYP1A2 (0.45) L3MBTL1LMNAALDH1A1EPHX1PPARG
SCHEMBL1039681 0.72 CYP1A2 (0.40) L3MBTL1LMNAEPHX1TSHRCYP1A2
SCHEMBL2668750 0.72 L3MBTL1 (0.37) L3MBTL1LMNAALDH1A1EPHX1PPARG
SCHEMBL1527188 0.70 MEN1 (0.49) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL1417470 0.70 CPA1 (0.41) MEN1KMT2AL3MBTL1ALDH1A1EPHX1
SCHEMBL8773482 0.69 MEN1 (0.69) MEN1KMT2AL3MBTL1HTTLMNA

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-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 MEN1 2138/4885KMT2A 507/4885L3MBTL1 2173/4885

“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.