SCHEMBL18355013

SCHEMBL18355013

O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc2c(cc1F)COB2O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GPR27 Q9NS67 2/20 0.54
KDM4E B2RXH2 4/20 0.50
RXFP1 Q9HBX9 2/20 0.50
POLB P06746 2/20 0.50
PHGDH O43175 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GRM4 Q14833 2/20 0.46
LMNA P02545 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL18354780 0.90 MEN1 (0.64) MEN1KMT2AGPR27KDM4ERXFP1
SCHEMBL18354261 0.85 POLB (0.60) MEN1KMT2AGPR27KDM4ERXFP1
SCHEMBL18360548 0.78 CYP2C19 (0.54) KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1818687 0.75 BDKRB1 (0.48) ALDH1A1SMN1; SMN2LMNA
SCHEMBL18360493 0.73 CA1 (0.47)
SCHEMBL18354525 0.73 CA1 (0.49) POLBLMNA
SCHEMBL18360489 0.73 CA1 (0.51) ALDH1A1
SCHEMBL1825015 0.72 PDE4A (0.43)
SCHEMBL1827385 0.72 SLC40A1 (0.46)
SCHEMBL18354544 0.72 HTR2C (0.48) MEN1KMT2A

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-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 US disclosed
US-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 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-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 MEN1 2465/4885KMT2A 2550/4885GPR27 3442/4885

“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.