SCHEMBL4076538

SCHEMBL4076538

COC(=O)[C@H](NC(=O)C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
TACR3 P29371 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
MAPT P10636 2/20 0.38
NR3C1 P04150 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL12208933 0.89 PDE2A (0.40) PDE2AMAPK1TSHRGAAMEN1
SCHEMBL18358292 0.86 PDE2A (0.54) PDE2AMAPK1CYP3A4
SCHEMBL8607503 0.86 KMT2A (0.51) TSHRMEN1KMT2AALDH1A1TACR3
SCHEMBL12209104 0.82 POLB (0.46) MAPK1TSHRGAAMEN1KMT2A
SCHEMBL2672092 0.82 HDAC3 (0.41) PDE2AMEN1KMT2AALDH1A1HTT
SCHEMBL2672091 0.82 HDAC3 (0.41) PDE2AMEN1KMT2AALDH1A1HTT
SCHEMBL3173992 0.82 HDAC3 (0.41) PDE2AMEN1KMT2AALDH1A1HTT
SCHEMBL27602372 0.79 TSHR (0.44) MAPK1TSHRGAAMEN1KMT2A
SCHEMBL8058375 0.79 HDAC3 (0.42) MAPK1TSHRGAAMEN1KMT2A
SCHEMBL17723343 0.79 CTSS (0.47) MAPK1TSHRMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 EP disclosed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 EP disclosed
US-9161927-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-20 US disclosed
US-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 US disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
WO-2011124525-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 WO disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
WO-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 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 (5 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-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS PTGER4, PTGER1, PDE4A PDE2A 12/4885MAPK1 2493/4885TSHR 1037/4885
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 PDE2A 10/4885MAPK1 1693/4885TSHR 2188/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT PDE2A 3448/4885MAPK1 2626/4885TSHR 2530/4885
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PDE4A, PDE12, PDE3B PDE2A 5/4885MAPK1 1688/4885TSHR 2622/4885
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 PDE2A 2362/4885MAPK1 2145/4885TSHR 1555/4885

“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.