SCHEMBL2903560

SCHEMBL2903560

CN(C)c1cc(C(=O)O)c(N=C=S)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.33
MYC P01106 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2902887 0.80 KDM4E (0.33) ALDH1A1POLBKDM4EGLAGAA
SCHEMBL3002544 0.78 KDM4E (0.37) ALDH1A1KDM4EGAAMAPT
SCHEMBL3586670 0.75 KEAP1 (0.37) KDM4E
SCHEMBL3574019 0.75 ALDH1A1 (0.40) ALDH1A1POLBMYCKDM4ETP53
SCHEMBL3009294 0.74 LCK (0.49) ALDH1A1POLBMYCKDM4EGAA
SCHEMBL2899363 0.68 NEU3 (0.45) POLBMYCKDM4ETP53GAA
SCHEMBL1110888 0.65 ALDH1A1 (0.50) ALDH1A1POLBMYCKDM4EGAA
SCHEMBL9492204 0.65 KEAP1 (0.38) ALDH1A1POLBKDM4ETP53MAPT
SCHEMBL6647328 0.63 LCK (0.56) ALDH1A1MYCKDM4EMAPT
SCHEMBL472303 0.63 IDO1 (0.53) ALDH1A1POLBMYCKDM4EGLA

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-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
EP-2240178-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-10-20 EP disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 WO 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 ALDH1A1 204/4885POLB 1480/4885MYC 2540/4885

“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.