SCHEMBL4387438

SCHEMBL4387438

CC(C(=O)O)c1cccc(CC(C)(C)NC[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(OCc3ccccc3)c(CO)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.41
ADRB1 P08588 3/20 0.38
CCR5 P51681 1/20 0.36
LMNA P02545 1/20 0.36
ELANE P08246 5/20 0.35
F2 P00734 1/20 0.35
CHRM3 P20309 1/20 0.35
CTSG P08311 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
CASR P41180 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL4387444 1.00 ADRB2 (0.41) ADRB2ADRB1CCR5LMNAELANE
SCHEMBL4390153 0.91 ADRB2 (0.40) ADRB2ADRB1CCR5LMNAELANE
SCHEMBL4390150 0.91 ADRB2 (0.40) ADRB2ADRB1CCR5LMNAELANE
SCHEMBL4393381 0.89 ADRB2 (0.47) ADRB2ADRB1CCR5LMNAELANE
SCHEMBL4392141 0.89 ADRB2 (0.47) ADRB2ADRB1CCR5LMNAELANE
SCHEMBL4255062 0.88 ADRB3 (0.40) ADRB2ADRB1ELANEF2CHRM3
SCHEMBL4391589 0.88 ADRB2 (0.41) ADRB2ADRB1CCR5LMNAELANE
SCHEMBL6256253 0.88 ADRB2 (0.41) ADRB2ADRB1CCR5LMNAELANE
SCHEMBL13589456 0.88 ADRB2 (0.46) ADRB2ADRB1CCR5LMNAELANE
SCHEMBL4260800 0.88 ADRB3 (0.40) ADRB2ADRB1ELANEF2CHRM3

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-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 ADRB2 731/4885ADRB1 711/4885CCR5 466/4885

“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.