SCHEMBL5749360

SCHEMBL5749360

CCOC(=O)c1cc(F)cnc1Oc1ccc(SC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
GPR55 Q9Y2T6 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGER4 P35408 4/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
CYP1A2 P05177 3/20 0.43
POLB P06746 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
NMT2 O60551 1/20 0.41
NMT1 P30419 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
SCHEMBL5693370 0.88 NPSR1 (0.50) L3MBTL1NPSR1GPR55MEN1KMT2A
SCHEMBL6063458 0.83 TSHR (0.44) L3MBTL1NPSR1GPR55MEN1KMT2A
SCHEMBL6064161 0.81 CYP1A2 (0.60) L3MBTL1NPSR1GPR55MEN1KMT2A
SCHEMBL5750409 0.80 CYP1A2 (0.46) L3MBTL1NPSR1KMT2AMAPTKDM4E
SCHEMBL4449431 0.75 PTGER4 (0.57) L3MBTL1PTGER4KDM4ECYP1A2ALDH1A1
SCHEMBL5746951 0.74 PTGER4 (0.44) PTGER4
SCHEMBL8349271 0.74 PTGER4 (0.55) L3MBTL1MEN1KMT2APTGER4MAPT
SCHEMBL6898388 0.74 KMT2A (0.45) L3MBTL1NPSR1MEN1KMT2AMAPT
SCHEMBL8297693 0.74 PTGER4 (0.45) NPSR1MEN1KMT2APTGER4MAPT
SCHEMBL5777953 0.73 PDE4B (0.58) PTGER4ALDH1A1

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-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US disclosed
EP-1651609-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 US disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A L3MBTL1 3803/4885NPSR1 458/4885GPR55 532/4885

“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.