SCHEMBL12172986

SCHEMBL12172986

O=S(O)c1cc(Nc2nc(F)nc(Nc3ccc(Cl)cc3)n2)c2c(O)c(/N=N/c3ccc4ccccc4c3S(=O)(=O)O)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.41
▸ CTRB1 P17538 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ MPL P40238 1/20 0.33
▸ CTRC Q99895 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL12189771 0.84 FUT8 (0.52) FUT8P2RX7P2RX2MEN1THRB
SCHEMBL12172983 0.77 FUT8 (0.35) FUT8CTRB1MPLCTRC
SCHEMBL18218148 0.75 FUT8 (0.59) FUT8CTRB1P2RX7P2RX2MPL
SCHEMBL13100747 0.74 KMT2A (0.43) FUT8CTRB1MPLCTRCMEN1
SCHEMBL12974350 0.73 FUT8 (0.65) FUT8MEN1THRBKMT2A
SCHEMBL18218147 0.72 FUT8 (0.56) FUT8CTRB1P2RX7P2RX2MPL
SCHEMBL12189773 0.70 FUT8 (0.46) FUT8P2RX7P2RX2MPLCTRC
SCHEMBL12974423 0.69 ENPP2 (0.48) FUT8P2RX7P2RX2MEN1THRB
SCHEMBL10039850 0.68 FUT8 (0.42) FUT8CTRB1MEN1THRBKMT2A
SCHEMBL15362445 0.68 FUT8 (0.58) FUT8CTRB1MPLCTRCMEN1

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-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

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 FUT8 769/4885CTRB1 3580/4885P2RX7 2704/4885

“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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