SCHEMBL17463408

SCHEMBL17463408

COc1cc(OS(=O)(=O)C(F)(F)F)cc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ ABHD6 Q9BV23 2/20 0.42
▸ ADORA1 P30542 1/20 0.41
▸ STS P08842 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ P2RX3 P56373 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL30156710 0.89 ESR2 (0.46) ESR2NR1H2ABHD6ADORA1STS
SCHEMBL17469262 0.89 ESR2 (0.46) ESR2NR1H2ABHD6ADORA1STS
SCHEMBL15502993 0.89 ESR2 (0.48) ESR2NR1H2ABHD6ADORA1STS
SCHEMBL20522879 0.87 ESR2 (0.53) ESR2NR1H2ABHD6ADORA1STS
SCHEMBL30255366 0.87 ESR2 (0.53) ESR2NR1H2ABHD6ADORA1STS
SCHEMBL15506323 0.87 ESR2 (0.46) ESR2NR1H2ABHD6ADORA1STS
SCHEMBL15506349 0.86 ESR2 (0.46) ESR2NR1H2ABHD6ADORA1STS
SCHEMBL15506351 0.85 ESR2 (0.45) ESR2NR1H2ABHD6ADORA1STS
SCHEMBL8794268 0.85 ESR2 (0.52) ESR2NR1H2ABHD6MAPTKDM4E
SCHEMBL23684088 0.83 ESR2 (0.51) ESR2NR1H2ABHD6ADORA1STS

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-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
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 ESR2 3032/4885NR1H2 2115/4885ABHD6 1410/4885

“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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