SCHEMBL2903458

SCHEMBL2903458

COc1cc(C(=O)O)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.47
TPMT P51580 1/20 0.46
DTYMK P23919 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CASP3 P42574 1/20 0.45

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
SCHEMBL14559830 0.91 PKM (0.55) PKMLCKFYNLMNAPOLB
SCHEMBL31549975 0.91 PKM (0.59) PKMLCKFYNLMNAPOLB
SCHEMBL375897 0.91 PKM (0.59) PKMLCKFYNLMNAPOLB
SCHEMBL31229493 0.90 PKM (0.58) PKMLCKFYNLMNAPOLB
SCHEMBL28454415 0.90 PKM (0.58) PKMLCKFYNLMNAPOLB
SCHEMBL5095253 0.90 PKM (0.54) PKMLCKFYNKDM4EALDH1A1
Methyl Alcohol SCHEMBL27781670 0.90 PKM (0.58) PKMLCKFYNLMNAPOLB
SCHEMBL22324330 0.89 LCK (0.56) PKMLCKFYNLMNAPOLB
SCHEMBL16636780 0.89 LCK (0.56) PKMLCKFYNLMNAPOLB
SCHEMBL8901567 0.87 PKM (0.51) PKMLCKFYNLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116648250-A Novel quinazoline derivatives as SOS1 inhibitors and uses thereof 韩美药品株式会社 2023-08-25 CN disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
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-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 WO 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 PKM 1773/4885LCK 4131/4885FYN 4813/4885

“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.