SCHEMBL6540889

SCHEMBL6540889

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 2/20 0.40
CA12 O43570 2/20 0.40
CA5A P35218 2/20 0.40
CA4 P22748 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
RAB9A P51151 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CA9 Q16790 2/20 0.39
ESRRB O95718 1/20 0.39
ESRRG P62508 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
ABCB11 O95342 1/20 0.38

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
SCHEMBL6804376 0.94 RAB9A (0.41) CA1CA2CA7CA12CA5A
SCHEMBL6540597 0.90 CA1 (0.41) CA1CA2CA7CA12CA5A
SCHEMBL6539909 0.89 LMNA (0.41) CA1CA2CA7CA12CA5A
SCHEMBL6541443 0.87 PKM (0.44) RAB9A
SCHEMBL6540846 0.85 KMT2A (0.46)
SCHEMBL6682110 0.84 KMT2A (0.39) CA1CA2CA7CA12CA5A
SCHEMBL6805839 0.84 CA12 (0.41) CA1CA2CA7CA12CA5A
SCHEMBL6541476 0.82 ACACB (0.40) CA1CA2CA12CYP4F2CYP4A11
SCHEMBL6541141 0.81 NLRP3 (0.49) ALDH1A1
SCHEMBL6541364 0.81 HTR6 (0.46) CA1CA2CA7CA12CA5A

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 CA1 4181/4885CA2 2242/4885CA7 3592/4885

“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.