SCHEMBL6682136

SCHEMBL6682136

CCOC(=O)c1cc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
AKR1C3 P42330 3/20 0.40

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
SCHEMBL6680417 0.95 MTNR1A (0.45) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL6540846 0.87 KMT2A (0.46) KMT2APKM
SCHEMBL6539981 0.84 MTNR1A (0.52) KMT2AMEN1ALDH1A1PKM
SCHEMBL6541781 0.84 POLB (0.48) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL6540597 0.82 CA1 (0.41) POLBKMT2AMEN1ALDH1A1TP53
SCHEMBL6805809 0.82 MEN1 (0.44) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL6805814 0.82 CA12 (0.41) KMT2AMEN1
SCHEMBL6679678 0.82 POLB (0.43) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL6541443 0.82 PKM (0.44) KMT2AMEN1PKM
SCHEMBL6810081 0.81 RAF1 (0.40) POLBKMT2AMEN1

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 POLB 972/4885KMT2A 505/4885MEN1 4031/4885

“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.