SCHEMBL5405529

SCHEMBL5405529

COC(=O)Cc1cn(C)nc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.36
▸ GAA P10253 3/20 0.36
▸ EGFR P00533 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GLA P06280 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 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
SCHEMBL6035740 0.83 TSHR (0.40) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL5106211 0.79 AKR1B1 (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5415068 0.77 ALDH1A1 (0.49) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL14565681 0.75 HSP90AB1 (0.44) HSP90AB1ALDH1A1GAAEGFRKDM4E
SCHEMBL5397261 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EBRD4HPGDHTT
SCHEMBL31614172 0.72 ATM (0.40) HSP90AB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17122469 0.71 MIF (0.40) HSP90AB1ALDH1A1KDM4ECYP4F2CYP4A11
SCHEMBL22028701 0.70 KDM4E (0.41) HSP90AB1ALDH1A1GAAEGFRKDM4E
SCHEMBL5120016 0.70 CYP4F2 (0.49) ALDH1A1GAACYP4F2CYP4A11MAPT
SCHEMBL8488117 0.70 HSP90AB1 (0.47) HSP90AB1ALDH1A1GAAEGFRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 — — US disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 — — US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 — — 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 HSP90AB1 3588/4885ALDH1A1 134/4885GAA 1352/4885

“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.

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