SCHEMBL5746669

SCHEMBL5746669

COc1cc(O)ccc1SC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.57
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
APP P05067 1/20 0.41
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CAPN1 P07384 1/20 0.39
PARP1 P09874 1/20 0.39
MAOA P21397 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FPR2 P25090 1/20 0.39
POLB P06746 2/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5878690 0.83 MAOB (0.52) MAOBMAPTCYP3A4ESR1ESR2
SCHEMBL5512502 0.77 MAOB (0.50) MAOBMAPTCYP3A4ESR1ESR2
SCHEMBL3511278 0.77 CA12 (0.58) MAPTCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL9914231 0.77 ACHE (0.58) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL16960070 0.76 TSHR (0.41) MAOBMAPTCYP3A4KMT2AMEN1
SCHEMBL11580822 0.76 MAOB (0.48) MAOBMAPTCYP3A4ESR1ESR2
SCHEMBL18929533 0.75 MEN1 (0.48) KMT2AMEN1ALOX15ALDH1A1TUBB4A
SCHEMBL11356993 0.75 MAPT (0.52) MAPTCYP3A4TDP1POLBALOX15
SCHEMBL31050347 0.75 KDM4E (0.40) TDP1POLBALOX15KDM4ETUBB4A
SCHEMBL12696914 0.75 IDO1 (0.40) FPR2POLBALOX15KDM4ETUBB4A

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 18 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
US-7129234-B2 Phenyl heterocyclyl ethers PFIZER INC. (US) 2006-10-31 US disclosed
EP-1651609-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
EP-1377550-B9 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2005-11-23 EP disclosed
EP-1268396-B1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-07-20 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
EP-1377550-B1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2004-11-03 EP disclosed
US-20040106594-A1 Phenyl heterocyclyl ethers PFIZER INC 2004-06-03 US disclosed
EP-1377550-A1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030207857-A1 Phenyl heterocyclyl ethers PFIZER INC. 2003-11-06 US disclosed
EP-1268396-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2003-01-02 EP disclosed
WO-2002083643-A1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2002-10-24 WO disclosed
US-6448293-B1 TREATMENT OR PREVENTION OF A DISORDER IN WHICH THE REGULATION OF MONOAMINE TRANSPORTER FUNCTION IS IMPLICATED, SUCH AS PREMATURE EJACULATION. PFIZER INC. 2002-09-10 US disclosed
US-20020052395-A1 Diphenyl ether compounds useful in therapy ANDREWS MARK DAVID (GB) 2002-05-02 US disclosed
WO-2001072687-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2001-10-04 WO disclosed
US-4299827-A O-Ethyl S-n-propyl O-[4-methylthio(sulfinyl)(sulfonyl)-2(3)-methoxyphenyl]p TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-10 US 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 (4 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-20020052395-A1 Diphenyl ether compounds useful in therapy CBR1, OGFR, CBR3 MAOB 1274/4885MAPT 4539/4885CYP3A4 303/4885
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A MAOB 410/4885MAPT 4668/4885CYP3A4 131/4885
US-20030207857-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI MAOB 1674/4885MAPT 1689/4885CYP3A4 10/4885
US-20040106594-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI MAOB 1674/4885MAPT 1689/4885CYP3A4 10/4885

“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.