SCHEMBL3485285

SCHEMBL3485285

O=C(O)CC(CC(=O)O)(OC(=O)c1ccccc1O)C(=O)O.[NaH].[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HMGB1 P09429 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA9 Q16790 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
CA14 Q9ULX7 1/20 0.43
RAB9A P51151 3/20 0.41

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
SCHEMBL2712904 0.98 TDP1 (0.53) TDP1HPGDHSD17B10ALOX15TSHR
SCHEMBL27625176 0.97 TDP1 (0.51) TDP1HPGDHSD17B10ALOX15TSHR
SCHEMBL793901 0.89 CYP2C19 (0.44) TDP1ALOX15TSHRLMNAALDH1A1
SCHEMBL793900 0.84 ALDH1A1 (0.51) HPGDHSD17B10ALOX15TSHRKDM4E
SCHEMBL6663875 0.81 L3MBTL1 (0.44) TDP1HPGDTSHRKDM4ESMN1; SMN2
SCHEMBL28075408 0.80 TDP1 (0.46) TDP1HSD17B10TSHRLMNAKDM4E
SCHEMBL1289443 0.80 TDP1 (0.46) TDP1HSD17B10TSHRLMNAKDM4E
SCHEMBL6664530 0.79 NPC1 (0.47) HPGDLMNAALDH1A1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL18584396 0.79 TDP1 (0.44) TDP1HSD17B10TSHRLMNAALDH1A1
SCHEMBL2071064 0.78 TDP1 (0.47) TDP1HPGDHSD17B10ALOX15TSHR

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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 TDP1 1741/4885HPGD 1863/4885HSD17B10 2851/4885

“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.