SCHEMBL17462539

SCHEMBL17462539

COc1cc(C=O)c(F)c(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.34
▸ ERN1 O75460 2/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ TRIM33 Q9UPN9 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TUBB1 Q9H4B7 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ PREP P48147 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL17462529 0.80 — —
SCHEMBL17462537 0.80 BACE1 (0.32) BACE1ALDH1A1
SCHEMBL17462538 0.77 TAAR1 (0.43) CYP1A2
SCHEMBL17462545 0.76 — —
SCHEMBL16880571 0.75 BACE1 (0.39) BACE1
SCHEMBL17462532 0.73 CHRM2 (0.42) CHRM2CHRM1CHRM3
SCHEMBL2700219 0.73 ERN1 (0.39) BACE1ERN1TRIM24TYRTRIM33
SCHEMBL2701272 0.73 ERN1 (0.31) ERN1TRIM24TYRTRIM33
SCHEMBL25950456 0.72 BACE1 (0.35) BACE1
SCHEMBL29180817 0.72 PRKDC (0.38) ERN1ALDH1A1PREPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353090-B2 Heterocyclic carboxylic acids as activators of soluble guanylate cyclase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-31 — — US disclosed
US-9353090-B2 Heterocyclic carboxylic acids as activators of soluble guanylate cyclase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-31 — — US disclosed
US-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — US disclosed
US-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — US disclosed
WO-2016014463-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — 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-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ADCY9, ADCY7, GUCY1B1 BACE1 3067/4885ERN1 2731/4885TRIM24 4393/4885

“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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