SCHEMBL1672025

SCHEMBL1672025

CCOC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 6/20 0.55
▸ HDAC6 Q9UBN7 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ HDAC4 P56524 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ SMO Q99835 1/20 0.39

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
SCHEMBL31169339 0.83 PTGES (0.60) PTGESHDAC6CA1CA2CA7
SCHEMBL1671417 0.83 PTGES (0.60) PTGESHDAC6CA1CA2CA7
SCHEMBL1671522 0.79 CYP4F2 (0.46) HDAC6KDM4ECA1CA2CA7
SCHEMBL1725175 0.77 PTGES (0.53) PTGESHDAC6CA1CA2CA7
SCHEMBL1671306 0.76 CYP4F2 (0.56) PTGESALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL29891158 0.74 TSHR (0.52) HDAC6KDM4ECA1CA2CA7
SCHEMBL1998119 0.74 CES2 (0.65) HDAC6KDM4ECA1CA2CA7
SCHEMBL1671910 0.74 TSHR (0.52) HDAC6KDM4ECA1CA2CA7
SCHEMBL14965812 0.74 PTGES (0.56) PTGESHDAC6KDM4ECA1CA2
SCHEMBL14966278 0.73 ROCK2 (0.47) PTGESHDAC6CA1CA2CA7

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 9 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

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 PTGES 1/4885HDAC6 2714/4885KDM4E 2387/4885

“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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