SCHEMBL12189798

SCHEMBL12189798

Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1S(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.60
▸ FUT8 Q9BYC5 1/20 0.49
▸ CA9 Q16790 5/20 0.49
▸ CA12 O43570 4/20 0.49
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 4/20 0.49
▸ CA14 Q9ULX7 3/20 0.49
▸ CA5A P35218 2/20 0.49
▸ CA5B Q9Y2D0 1/20 0.49
▸ APEX1 P27695 3/20 0.44
▸ SUMO2 P61956 1/20 0.42
▸ SUMO1 P63165 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP2 Q9HC62 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA7 P43166 1/20 0.39

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
SCHEMBL14038372 0.93 ENPP2 (0.56) ENPP2FUT8CA9CA12CA1
SCHEMBL16330379 0.93 ENPP2 (0.59) ENPP2FUT8CA9CA12CA1
SCHEMBL14038374 0.91 ENPP2 (0.69) ENPP2FUT8CA9CA12CA1
SCHEMBL14048509 0.88 ENPP2 (0.62) ENPP2FUT8CA9CA12CA1
SCHEMBL12189797 0.88 ENPP2 (0.62) ENPP2FUT8CA9CA12CA1
SCHEMBL13823298 0.87 ENPP2 (0.61) ENPP2FUT8CA9CA12CA1
SCHEMBL14440892 0.87 ENPP2 (0.61) ENPP2FUT8CA9CA12CA1
SCHEMBL14400707 0.87 ENPP2 (0.61) ENPP2FUT8APEX1SUMO2SUMO1
SCHEMBL13147789 0.85 ENPP2 (0.55) ENPP2FUT8CA9CA12CA1
SCHEMBL7777133 0.84 ENPP2 (0.59) ENPP2FUT8CA9CA12CA1

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-9403987-B2 Charged particles BASF SE (DE) 2016-08-02 — — US disclosed
US-20120229884-A1 CHARGED PARTICLES BASF SE (DE) 2012-09-13 — — US disclosed
WO-2010149505-A2 CHARGED PARTICLES BASF SE (DE) 2010-12-29 — — 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-20120229884-A1 CHARGED PARTICLES POLE3, POLD3, IPO4 ENPP2 1649/4885FUT8 769/4885CA9 249/4885

“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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