SCHEMBL5459520

SCHEMBL5459520

O=C(O)C(Cl)c1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
PDE7A Q13946 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
VCAM1 P19320 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL10509949 0.86 TSHR (0.50) TSHRMAPK1CA1CA2MMP1
SCHEMBL2942137 0.83 TSHR (0.50) TSHRMAPK1CA1CA2MMP1
SCHEMBL2942139 0.83 TSHR (0.50) TSHRMAPK1CA1CA2MMP1
SCHEMBL8805656 0.82 ALDH1A1 (0.47) TSHRMAPK1CA1CA2MMP1
SCHEMBL4837077 0.77 TSHR (0.47) TSHRALDH1A1LMNAHTT
SCHEMBL24347083 0.77 TSHR (0.55) TSHRMAPK1CA1CA2MMP1
SCHEMBL16956183 0.76 TSHR (0.50) TSHRMAPK1CA1CA2MMP1
SCHEMBL30811540 0.76 TSHR (0.58) TSHRMAPK1CA1CA2MMP1
SCHEMBL9501203 0.76 TSHR (0.58) TSHRMAPK1CA1CA2MMP1
SCHEMBL31387227 0.76 TSHR (0.58) TSHRMAPK1CA1CA2MMP1

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-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
EP-1698611-A1 PROCESS FOR PRODUCING PHENYLACETIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 TSHR 2683/4885MAPK1 2491/4885CA1 1675/4885

“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.