SCHEMBL2903129

SCHEMBL2903129

Cc1c(O)cc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.64
TSHR P16473 3/20 0.57
CASP6 P55212 1/20 0.53
ABCC3 O15438 1/20 0.49
ABCC4 O15439 1/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
TTR P02766 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
HTR1A P08908 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
RARB P10826 1/20 0.49
COMT P21964 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADORA1 P30542 1/20 0.49
ADRA1A P35348 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL503451 0.89 TSHR (0.65) TPMTTSHRCASP6HCAR3LMNA
SCHEMBL20066388 0.84 SMN1; SMN2 (0.50) TPMTTSHRABCC3ABCC4NR1I2
SCHEMBL3582465 0.84 TSHR (0.64) TPMTTSHRCASP6HCAR3LMNA
SCHEMBL30606818 0.81 TTR (0.63) TPMTTSHRCASP6ABCC3ABCC4
SCHEMBL644782 0.81 TTR (0.63) TPMTTSHRCASP6ABCC3ABCC4
SCHEMBL2900581 0.81 TPMT (0.55) TPMTABCC3ABCC4NR1I2ABCB11
SCHEMBL23699540 0.81 TSHR (0.56) TPMTTSHRCASP6HCAR3LMNA
SCHEMBL2902973 0.81 LMNA (0.60) TPMTTSHRCASP6HCAR3LMNA
SCHEMBL450228 0.81 TSHR (0.56) TPMTTSHRCASP6TTRHCAR3
SCHEMBL2894998 0.81 TSHR (0.56) TPMTTSHRCASP6TTRHCAR3

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 8 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
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 TPMT 234/4885TSHR 1645/4885CASP6 3590/4885

“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.