SCHEMBL5961606

SCHEMBL5961606

CCOCOc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(S)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARD Q03181 9/20 0.37
PPARA Q07869 6/20 0.37
PPARG P37231 1/20 0.36
PDE2A O00408 1/20 0.35
TP53 P04637 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALOX5 P09917 1/20 0.35
PSEN1 P49768 1/20 0.35
CYP1A1 P04798 1/20 0.34

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
SCHEMBL5961617 0.89 MAPT (0.39) CTSAMAPTLMNAATML3MBTL1
SCHEMBL5961603 0.85 LMNA (0.38) CTSAMAPTLMNAATML3MBTL1
SCHEMBL5961615 0.83 MAPT (0.38) CTSAMAPTLMNAATML3MBTL1
SCHEMBL3480437 0.79 LMNA (0.40) MAPTLMNAATML3MBTL1RXRA
SCHEMBL3480523 0.75 LMNA (0.37) MAPTLMNAATML3MBTL1RXRA
SCHEMBL3480919 0.75 LMNA (0.37) MAPTLMNAATML3MBTL1RXRA
SCHEMBL3480599 0.75 KIF11 (0.45) MAPTLMNAATML3MBTL1PPARD
SCHEMBL13756275 0.71 RXRA (0.47) MAPTLMNAATML3MBTL1RXRA
SCHEMBL13756274 0.71 ESR1 (0.49) MAPTLMNAATML3MBTL1RXRA
SCHEMBL13756273 0.70 PPARD (0.49) MAPTLMNAATML3MBTL1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037930-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-05-02 US disclosed
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-05-19 US disclosed
US-6509354-B1 Insecticides and miticides containing the 3-arylphenyl sulfide derivatives as an active ingredient. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-21 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 (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-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 CTSA 3594/4885MAPT 4460/4885LMNA 4221/4885

“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.