SCHEMBL4943383

SCHEMBL4943383

CCOP(=O)(O)CC(=O)c1cccc(Oc2cccc(F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MAOB P27338 1/20 0.41
CETP P11597 1/20 0.40
PPARG P37231 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 3/20 0.39
NR4A2 P43354 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AKR1C3 P42330 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL5733094 0.89 ERCC5 (0.53) NPC1RAB9AERCC5FEN1CETP
SCHEMBL5733422 0.83 RAB9A (0.51) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL5732673 0.83 CES2 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2HDAC8
SCHEMBL4943375 0.81 NPC1 (0.49) GCKNPC1RAB9AERCC5FEN1
SCHEMBL5734272 0.79 SMPD1 (0.53) LMNAPOLBKMT2A
SCHEMBL28758792 0.79 GCK (0.46) GCKNPC1RAB9AERCC5FEN1
SCHEMBL5732716 0.78 KDM4E (0.45) NPC1RAB9ALMNAALDH1A1POLB
SCHEMBL5733074 0.78 L3MBTL1 (0.47) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL6490457 0.77 MAOB (0.59) MAOBMRGPRX4NR4A2SMN1; SMN2KMT2A
SCHEMBL5734397 0.77 ERCC5 (0.50) NPC1RAB9AERCC5FEN1CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US disclosed
US-6849657-B2 2-pyrrolidone derivatives as prostanoid agonists SYNTEX (U.S.A.) LLC (US) 2005-02-01 US disclosed
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC 2004-07-22 US disclosed
EP-1408961-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
US-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-03 US disclosed
WO-2003007941-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 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 (3 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-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists PTGER1, PTGER4, PTGIR GCK 2748/4885NPC1 3796/4885RAB9A 1221/4885
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents C3AR1, C1R, HRH4 GCK 3232/4885NPC1 1002/4885RAB9A 154/4885
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists PTGER1, PTGER2, PTGER4 GCK 2560/4885NPC1 1619/4885RAB9A 1299/4885

“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.