SCHEMBL6804376

SCHEMBL6804376

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ABCB11 O95342 1/20 0.37
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 0.37
PDK4 Q16654 2/20 0.37
ALK Q9UM73 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL6540889 0.94 CA1 (0.40) RAB9ACYP4F2CYP4A11ABCB11PDK1
SCHEMBL6682110 0.90 KMT2A (0.39) RAB9ANPC1MEN1KMT2ACA12
SCHEMBL6680743 0.84 KMT2A (0.41) RAB9AALKMEN1KMT2ACA12
SCHEMBL6540597 0.84 CA1 (0.41) RAB9AMEN1KMT2ACA12CA1
SCHEMBL6539909 0.83 LMNA (0.41) RAB9AMEN1KMT2ACA12CA1
SCHEMBL6680430 0.82 ALK (0.47) ALKKMT2A
SCHEMBL6541443 0.82 PKM (0.44) RAB9AMEN1KMT2APKM
SCHEMBL6680753 0.81 CYP4F2 (0.43) RAB9ANPC1CYP4F2CYP4A11KMT2A
SCHEMBL6805570 0.81 CA1 (0.47) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6680417 0.81 MTNR1A (0.45) MEN1KMT2APOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 RAB9A 1610/4885NPC1 4528/4885CYP1A2 2365/4885

“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.