SCHEMBL5513337

SCHEMBL5513337

OCc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.63
IDO1 P14902 2/20 0.50
NOTUM Q6P988 9/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
S1PR1 P21453 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
KDR P35968 1/20 0.42
PDK2 Q15119 1/20 0.42
PYCR1 P32322 1/20 0.42
CYP1A2 P05177 1/20 0.42
GPR84 Q9NQS5 1/20 0.42

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
SCHEMBL932893 0.85 IDO1 (0.61) KIF11IDO1NOTUMS1PR1HTR3E
SCHEMBL29556319 0.85 IDO1 (0.61) KIF11IDO1NOTUMS1PR1HTR3E
SCHEMBL6182056 0.84 IDO1 (0.51) KIF11IDO1NOTUMRXRARXRB
SCHEMBL2698021 0.83 NOTUM (0.61) IDO1NOTUMHTR3EHTR3BHTR3A
SCHEMBL12603808 0.83 IDO1 (0.50) KIF11IDO1NOTUMRXRARXRB
SCHEMBL322688 0.80 KIF11 (0.59) KIF11IDO1NOTUMHTR3EHTR3B
SCHEMBL19523185 0.80 CTSS (0.52) KIF11IDO1NOTUMRXRARXRB
SCHEMBL875664 0.79 IDO1 (0.50) KIF11IDO1S1PR1KDRGPR84
SCHEMBL17297764 0.79 KDM4E (0.48) IDO1NOTUMRXRARXRBRXRG
SCHEMBL29918384 0.79 IDO1 (0.50) KIF11IDO1S1PR1KDRGPR84

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-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
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-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 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 (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-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG KIF11 4399/4885IDO1 3753/4885NOTUM 1370/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG KIF11 4399/4885IDO1 3753/4885NOTUM 1370/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG KIF11 4399/4885IDO1 3753/4885NOTUM 1370/4885

“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.