SCHEMBL6540370

SCHEMBL6540370

O=C(O)N(CCCc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
CA12 O43570 12/20 0.51
CA1 P00915 12/20 0.51
CA2 P00918 12/20 0.51
CA4 P22748 5/20 0.50
TAS2R14 Q9NYV8 1/20 0.50
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
LPAR1 Q92633 1/20 0.45
RCE1 Q9Y256 1/20 0.45

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
SCHEMBL6798502 0.93 CA12 (0.55) ESR1CA12CA1CA2CA4
SCHEMBL6540822 0.89 TAS2R14 (0.57) ESR1CA12CA1CA2CA4
SCHEMBL14362172 0.86 DPP4 (0.54) LPAR1
SCHEMBL6539996 0.83 HTR6 (0.51) ESR1CA12CA1CA2CA4
SCHEMBL6541013 0.82 CA12 (0.50) CA12CA1CA2CA4LIMK1
SCHEMBL6799685 0.81 ESR1 (0.45) ESR1CA12CA1CA2TAS2R14
SCHEMBL15965975 0.80 CCR6 (0.53) ESR1LPAR1
SCHEMBL6540792 0.79 CA12 (0.55) CA12CA1CA2CA4LIMK1
SCHEMBL375755 0.77 FNTA (0.59) ESR1CA12CA2TAS2R14
SCHEMBL3763771 0.76 HTR6 (0.59)

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 ESR1 2525/4885CA12 4283/4885CA1 4181/4885

“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.