SCHEMBL1671522

SCHEMBL1671522

CCOC(=O)c1cc(CN)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ HDAC4 P56524 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MBOAT4 Q96T53 1/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CES2 O00748 1/20 0.41

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
Hydrochloric Acid SCHEMBL14054768 0.84 MBOAT4 (0.49) TSHRKDM4EALDH1A1HSD17B10MBOAT4
SCHEMBL6881151 0.82 TSHR (0.56) CYP4F2CYP4A11MAPK1TSHRKDM4E
SCHEMBL1671910 0.81 TSHR (0.52) HDAC4HDAC6HDAC3HDAC1MAPK1
SCHEMBL29891158 0.81 TSHR (0.52) HDAC4HDAC6HDAC3HDAC1MAPK1
SCHEMBL1998119 0.81 CES2 (0.65) HDAC4HDAC6HDAC3HDAC1TSHR
SCHEMBL1672025 0.79 PTGES (0.55) CYP4F2CYP4A11HDAC4HDAC6HDAC3
SCHEMBL17057851 0.79 ALDH1A1 (0.58) CYP4F2CYP4A11MAPK1TSHRKDM4E
SCHEMBL9931368 0.79 RXRA (0.44) KDM4EALDH1A1HSD17B10CES2HPGD
Hydrochloric Acid SCHEMBL6879966 0.78 CA12 (0.64) CYP4F2CYP4A11MAPK1TSHRKDM4E
SCHEMBL1671454 0.78 CYP4F2 (0.73) CYP4F2CYP4A11MAPK1TSHRALDH1A1

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 CYP4F2 362/4885CYP4A11 129/4885HDAC4 1530/4885

“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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