SCHEMBL6540179

SCHEMBL6540179

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@@H](O)c3cccc(Cl)c3)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.40
ADRB3 P13945 5/20 0.40
TP53 P04637 1/20 0.40
CYP51A1 Q16850 2/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 2/20 0.36
RORC P51449 1/20 0.36
LMNA P02545 1/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6540172 1.00 ADRB1 (0.40) ADRB1ADRB3TP53CYP51A1CA12
SCHEMBL6540148 0.92 TP53 (0.43) ADRB1ADRB3TP53CA12CA1
SCHEMBL6540137 0.92 TP53 (0.43) ADRB1ADRB3TP53CA12CA1
SCHEMBL6803249 0.92 TP53 (0.40) ADRB1ADRB3TP53CA12CA1
SCHEMBL6540304 0.91 ADRB3 (0.49) ADRB1ADRB3CA12CA1CA2
SCHEMBL6540308 0.91 ADRB3 (0.49) ADRB1ADRB3CA12CA1CA2
SCHEMBL6679253 0.90 KDM4E (0.42) TP53CA12CA1CA2CA4
SCHEMBL6679254 0.90 KDM4E (0.42) TP53CA12CA1CA2CA4
SCHEMBL6540284 0.89 TP53 (0.52) ADRB1ADRB3TP53POLBNPSR1
SCHEMBL6540279 0.89 TP53 (0.52) ADRB1ADRB3TP53POLBNPSR1

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ADRB1 7/4885ADRB3 58/4885TP53 3788/4885

“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.