SCHEMBL4398203

SCHEMBL4398203

COc1cccc(CCNC(=O)c2cccc(CC(C)(C)NC[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(O)c(CO)c3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 8/20 0.46
▸ ADRB1 P08588 3/20 0.44
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ MMP13 P45452 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CHRM3 P20309 1/20 0.38
▸ SNCA P37840 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
SCHEMBL4398213 1.00 ADRB2 (0.46) ADRB2ADRB1CA1CA2CA7
SCHEMBL4390073 0.93 ADRB2 (0.44) ADRB2ADRB1CA1CA2CA7
SCHEMBL4390075 0.93 ADRB2 (0.44) ADRB2ADRB1CA1CA2CA7
SCHEMBL4387411 0.91 ADRB2 (0.46) ADRB2ADRB1CHRM3
SCHEMBL4387414 0.91 ADRB2 (0.46) ADRB2ADRB1CHRM3
SCHEMBL4387615 0.91 ADRB2 (0.47) ADRB2ADRB1PARP1CHRM3SNCA
SCHEMBL4387621 0.91 ADRB2 (0.47) ADRB2ADRB1PARP1CHRM3SNCA
SCHEMBL4390578 0.90 ADRB2 (0.45) ADRB2ADRB1PARP1RAB9ANPC1
SCHEMBL4390573 0.90 ADRB2 (0.45) ADRB2ADRB1PARP1RAB9ANPC1
SCHEMBL4391605 0.90 ADRB2 (0.46) ADRB2ADRB1PARP1RAB9ANPC1

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-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 — — US disclosed
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 711/4885CA1 2424/4885

“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.

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