SCHEMBL1671306

SCHEMBL1671306

CCOC(=O)c1cc(CNC(=O)C(C)(C)C(F)(F)F)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.56
▸ CYP4A11 Q02928 1/20 0.56
▸ TSHR P16473 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PTGES O14684 9/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ P2RY12 Q9H244 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PDE5A O76074 2/20 0.40
▸ PDE6D O43924 1/20 0.40
▸ PDE6A P16499 1/20 0.40
▸ PDE6G P18545 1/20 0.40
▸ PDE6B P35913 1/20 0.40
▸ PDE6C P51160 1/20 0.40
▸ PDE6H Q13956 1/20 0.40

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
SCHEMBL1671343 0.84 NR1H4 (0.48) TSHRPTGESALDH1A1CNR2LMNA
SCHEMBL18470529 0.84 PTGES (0.47) TSHRSMN1; SMN2PTGESCNR2LMNA
SCHEMBL18810192 0.81 PTGES (0.44) TSHRSMN1; SMN2PTGESCNR2LMNA
Hydrochloric Acid SCHEMBL29416907 0.80 PTGES (0.44) TSHRPTGESCNR2LMNAHPGD
Hydrochloric Acid SCHEMBL20489883 0.80 PTGES (0.44) TSHRPTGESCNR2LMNAHPGD
SCHEMBL25291677 0.78 CYP4F2 (0.45) CYP4F2CYP4A11TSHRSMN1; SMN2PTGES
SCHEMBL320406 0.77 CYP4F2 (0.79) CYP4F2CYP4A11TSHRSMN1; SMN2KMT2A
SCHEMBL9932144 0.76 PTGES (0.57) CYP4F2CYP4A11TSHRSMN1; SMN2PTGES
SCHEMBL1672025 0.76 PTGES (0.55) CYP4F2CYP4A11TSHRSMN1; SMN2PTGES
SCHEMBL1671579 0.76 PDK1 (0.38) TSHRSMN1; SMN2PTGESKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 — — US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 — — US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 — — US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 — — EP disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 — — EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 — — WO disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 — — 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 CYP4F2 362/4885CYP4A11 129/4885TSHR 2468/4885

“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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