SCHEMBL6540109

SCHEMBL6540109

COc1cccc(S(=O)(=O)c2ccc(CCNCc3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ATM Q13315 1/20 0.58
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA12 O43570 4/20 0.57
CA9 Q16790 4/20 0.57
CA4 P22748 3/20 0.57
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.49
MTNR1B P49286 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SFRP1 Q8N474 1/20 0.48

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
SCHEMBL6676685 0.93 CHRM2 (0.51) BCHEMEN1KMT2AATMCA1
SCHEMBL6540194 0.93 BCHE (0.61) BCHEMEN1KMT2AATMCA1
SCHEMBL6540047 0.89 MEN1 (0.60) BCHEMEN1KMT2AATMCA1
SCHEMBL6540208 0.89 MEN1 (0.73) BCHEMEN1KMT2AATMCA1
SCHEMBL6541333 0.84 CA12 (0.65) BCHEMEN1KMT2AATMCA1
SCHEMBL6541075 0.83 LTA4H (0.68) BCHEMEN1KMT2AATMCA1
SCHEMBL6540427 0.81 MEN1 (0.62) BCHEMEN1KMT2AATMCA1
SCHEMBL6541401 0.81 CA1 (0.59) BCHEMEN1KMT2AATMCA1
SCHEMBL6541006 0.81 CA1 (0.55) BCHEMEN1KMT2AATMCA1
SCHEMBL29194688 0.80 BCHE (0.80) BCHEMEN1KMT2AATMALDH1A1

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 BCHE 2596/4885MEN1 4140/4885KMT2A 432/4885

“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.