SCHEMBL3496735

SCHEMBL3496735

Cc1c(C(=O)OC(C)(C)C)sc(N)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GRM6 O15303 1/20 0.52
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 4/20 0.50
LMNA P02545 1/20 0.50
CISD2 Q8N5K1 3/20 0.49
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.43
ADORA1 P30542 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL8054398 0.87 GRM6 (0.59) ALDH1A1MEN1KMT2AGRM6MAPT
SCHEMBL3056486 0.86 KDM4E (0.66) ALDH1A1MEN1KMT2AGRM6MAPT
SCHEMBL3498311 0.83 MAPT (0.77) ALDH1A1MEN1KMT2AGRM6MAPT
SCHEMBL2807538 0.79 CISD2 (0.51) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL3066973 0.75 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL1622788 0.75 ADORA2A (0.60) ALDH1A1MEN1KMT2AGRM6MAPT
SCHEMBL14699510 0.75 GRM6 (0.55) ALDH1A1MEN1KMT2AGRM6MAPT
SCHEMBL3491508 0.75 GRM6 (0.59) ALDH1A1MEN1KMT2AGRM6MAPT
SCHEMBL9097001 0.75 GRM6 (0.39) ALDH1A1MEN1KMT2AGRM6MAPT
SCHEMBL10633454 0.75 GRM6 (0.60) ALDH1A1MEN1KMT2AGRM6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC ALDH1A1 772/4885MEN1 4260/4885KMT2A 3284/4885

“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.