SCHEMBL5512502

SCHEMBL5512502

COc1cc(O)ccc1SC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
EGFR P00533 2/20 0.39
ALDH1A1 P00352 1/20 0.39
APP P05067 1/20 0.37
AR P10275 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CAPN1 P07384 1/20 0.36
PARP1 P09874 1/20 0.36
MAOA P21397 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
TUBB4A P04350 1/20 0.35

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
SCHEMBL26944267 0.80 CA12 (0.50) MAPTCYP3A4ALDH1A1ARMEN1
SCHEMBL5746669 0.77 MAOB (0.57) MAOBESR1ESR2MAPTCYP3A4
SCHEMBL11099555 0.76 EGFR (0.40) MAOBMAPTCYP3A4EGFRALDH1A1
SCHEMBL23760108 0.76 MAPT (0.48) MAOBMAPTCYP3A4EGFRALDH1A1
SCHEMBL5635870 0.76 ESR2 (0.39) ESR1ESR2MAPTCYP3A4ALDH1A1
SCHEMBL6932331 0.75 AR (0.51) MAPTALDH1A1ARMEN1KMT2A
SCHEMBL16986026 0.75 PTGS2 (0.35) MAOBMAPTEGFRALDH1A1AR
SCHEMBL4674061 0.74 EGFR (0.38) MAOBMAPTCYP3A4EGFRALDH1A1
SCHEMBL6478684 0.73 AR (0.33) MAPTALDH1A1AR
SCHEMBL1174828 0.72 AR (0.57) MAOBALDH1A1ARMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 US disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 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 (2 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-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG MAOB 3512/4885ESR1 841/4885ESR2 409/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG MAOB 3512/4885ESR1 841/4885ESR2 409/4885

“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.