SCHEMBL1720823

SCHEMBL1720823

CC(C)=Cc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.38
▸ APP P05067 2/20 0.38
▸ TRPA1 O75762 2/20 0.37
▸ AR P10275 5/20 0.37
▸ PTGS1 P23219 2/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ MPL P40238 2/20 0.35
▸ PTGS2 P35354 2/20 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
SCHEMBL26552260 0.82 GABRA1 (0.40) KIF11APPTRPA1ARGABRA1
SCHEMBL1720610 0.80 NPFFR2 (0.53) TRPA1AR
SCHEMBL27896750 0.78 PTGS1 (0.36) KIF11APPPTGS1GABRA1SIGMAR1
SCHEMBL16141410 0.76 IAPP (0.51) APPARPTGS1PTGS2
SCHEMBL4447574 0.76 TRPA1 (0.72) TRPA1PTGS1GABRA1SIGMAR1TAS1R3
SCHEMBL4447576 0.76 TRPA1 (0.72) TRPA1PTGS1GABRA1SIGMAR1TAS1R3
SCHEMBL4447570 0.76 TRPA1 (0.72) TRPA1PTGS1GABRA1SIGMAR1TAS1R3
SCHEMBL29079163 0.76 GAA (0.44) APPAR
SCHEMBL29110066 0.76 APP (0.42) KIF11APPARPTGS1MPL
SCHEMBL29110062 0.76 APP (0.42) KIF11APPARPTGS1MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730126-B1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INT (DE) 2012-01-11 — — EP disclosed
US-7244728-B2 Long acting betamimetics for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-17 — — US disclosed
EP-1730126-A1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-13 — — EP disclosed
WO-2005092870-A1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 — — WO disclosed
US-20050209227-A1 Novel long acting betamimetics for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 — — US disclosed
EP-1577306-A1 novel benzoxazinone derivatives as slow-acting betamimetics and use thereof in treatment of respiratory tract diseases Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-09-21 — — EP 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-20050209227-A1 Novel long acting betamimetics for the treatment of respiratory diseases ADRA1D, ADRB2, ADRA1A KIF11 2876/4885APP 1805/4885TRPA1 1827/4885

“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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