SCHEMBL2940199

SCHEMBL2940199

CC(C)(C)OC(=O)Nc1nc2c(-c3ccc4c(c3)OCO4)cc(C(CO)c3ccc(F)cc3)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.38
NPC1 O15118 7/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KDM4D Q6B0I6 1/20 0.37
RAB9A P51151 7/20 0.37
MAPT P10636 5/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LCK P06239 2/20 0.36
EDNRA P25101 1/20 0.36

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
SCHEMBL8077962 0.90 CFTR (0.40) CFTRNPC1KDM4EALDH1A1HPGD
SCHEMBL2940202 0.86 CFTR (0.38) CFTRNPC1KDM4EALDH1A1HPGD
SCHEMBL2940200 0.83 NPC1 (0.40) CFTRNPC1KDM4EALDH1A1HPGD
SCHEMBL2944375 0.80 KDM4D (0.40) NPC1KDM4EALDH1A1HPGDKDM4D
SCHEMBL13846468 0.78 NPC1 (0.37) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL2910691 0.73 LCK (0.40) RAB9AMAPTLCKKMT2AGAA
SCHEMBL13846352 0.73 LCK (0.39) MAPTLCKKMT2A
SCHEMBL2926337 0.72 LCK (0.39) MAPTAKR1C3AKR1C2LCKMAPK1
SCHEMBL2915053 0.71 MAPT (0.41) NPC1ALDH1A1RAB9AMAPTAKR1C3
SCHEMBL13846345 0.69 LCK (0.44) ALDH1A1LCKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2014-09-18 US disclosed
EP-2225216-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
EP-2225215-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
WO-2009067618-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067604-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 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-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A CFTR 1457/4885NPC1 4463/4885KDM4E 232/4885

“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.