SCHEMBL2912588

SCHEMBL2912588

O=C(O)c1ccc(OC(F)F)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.56
KDM4E B2RXH2 4/20 0.52
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA4 P22748 3/20 0.52
CA6 P23280 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
PTGS2 P35354 2/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 3/20 0.47
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
TPMT P51580 1/20 0.46

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
SCHEMBL27051913 0.86 HTT (0.61) TTRKDM4ECA12CA1CA2
SCHEMBL1029279 0.85 PDE4A (0.59) TTRKDM4ECA12CA1CA2
SCHEMBL3596045 0.84 PKM (0.42) KDM4EGAAMAPTPOLBHTT
SCHEMBL30147631 0.82 HTT (0.64) TTRKDM4ECA12CA1CA2
SCHEMBL20042919 0.82 HTT (0.64) TTRKDM4ECA12CA1CA2
SCHEMBL9005609 0.82 TTR (0.56) TTRKDM4ECA12CA1CA2
SCHEMBL2910822 0.81 CA12 (0.59) KDM4ECA12CA1CA2CA7
SCHEMBL29723267 0.81 CA12 (0.59) KDM4ECA12CA1CA2CA7
SCHEMBL1014876 0.81 TSHR (0.53) TTRCA12CA1CA2CA4
SCHEMBL3795170 0.81 HTT (0.45) TTRKDM4ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103992220-B A kind of preparation method of roflumilast intermediate INSTITUTE OF MATERIA MEDICA, SHANDONG ACADEMY OF MEDICAL SCIENCES (CN) 2015-11-18 CN claimed
CN-103992220-A Method for preparing roflumilast intermediate INST OF MATERIA MEDICA SHANDONG ACADEMY OF MEDICAL SCIENCES 2014-08-20 CN claimed
CN-102838533-A Preparation method of roflumilast and key intermediate of roflumilast BEIJING D VENTURE PHARM TECH 2012-12-26 CN claimed
CN-103992220-B A kind of preparation method of roflumilast intermediate INSTITUTE OF MATERIA MEDICA, SHANDONG ACADEMY OF MEDICAL SCIENCES (CN) 2015-11-18 CN disclosed
CN-103992220-A Method for preparing roflumilast intermediate INST OF MATERIA MEDICA SHANDONG ACADEMY OF MEDICAL SCIENCES 2014-08-20 CN disclosed
CN-102838533-A Preparation method of roflumilast and key intermediate of roflumilast BEIJING D VENTURE PHARM TECH 2012-12-26 CN disclosed
EP-1879884-B1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LAB LTD (IN) 2010-08-25 EP disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
EP-1879884-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117653-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 TTR 1817/4885KDM4E 1427/4885CA12 977/4885

“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.