SCHEMBL3495425

SCHEMBL3495425

CC(=O)Oc1ccc(NC(=O)OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.72
ALDH1A1 P00352 5/20 0.72
PKM P14618 1/20 0.72
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
HSD17B10 Q99714 1/20 0.54
HPGD P15428 1/20 0.52
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TACR3 P29371 1/20 0.47
MAOB P27338 1/20 0.46
MGLL Q99685 1/20 0.46
GAA P10253 1/20 0.46
CASP3 P42574 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL27060882 0.86 CTSV (0.56) KDM4EALDH1A1PKMNPC1RAB9A
SCHEMBL1727764 0.85 NPC1 (0.54) KDM4EALDH1A1PKMNPC1RAB9A
SCHEMBL5446055 0.81 IGF2BP2 (0.61) KDM4EALDH1A1PKMNPC1RAB9A
SCHEMBL3496550 0.81 NPC1 (0.58) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL1163051 0.80 GAA (0.66) ALDH1A1NPC1RAB9AHSD17B10HPGD
SCHEMBL7268166 0.80 MAOB (0.61) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL10739078 0.80 ALDH1A1 (0.54) KDM4EALDH1A1PKMNPC1RAB9A
SCHEMBL1304336 0.80 KDM4E (0.67) KDM4EALDH1A1PKMHSD17B10HPGD
SCHEMBL907591 0.80 MGLL (0.65) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL1131165 0.79 CASP3 (0.61) KDM4ENPC1RAB9AHSD17B10MGLL

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 KDM4E 1730/4885ALDH1A1 772/4885PKM 597/4885

“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.