SCHEMBL5865336

SCHEMBL5865336

CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2CCCCC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRIA2 P42262 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
PPARD Q03181 1/20 0.33
AKR1C3 P42330 1/20 0.33
SLC6A9 P48067 1/20 0.32
HRH1 P35367 1/20 0.32
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32
PTGS2 P35354 4/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL27630218 0.89 CA1 (0.34) TLR8PPARDAKR1C3HRH1PTGS2
SCHEMBL5865483 0.84 CYP1A2 (0.50) TLR8CYP1A2CYP2D6GRIA2SLC6A9
SCHEMBL5865431 0.83 GPR119 (0.32) CYP1A2CYP2D6GRIA2GPR119CDK2
SCHEMBL5865446 0.81 TLR8 (0.38) TLR8CYP1A2CYP2D6GRIA2PTGS2
SCHEMBL5865512 0.78
SCHEMBL5865496 0.77 CA1 (0.48) CYP2D6PTGS2LMNA
SCHEMBL6959431 0.76 CA1 (0.47) CYP2D6PTGS2LMNA
SCHEMBL5865711 0.75 PTGS2 (0.46) CYP2D6PTGS2LMNA
SCHEMBL5205075 0.75 PTGS2 (0.46) PTGS2NR1H2NR1H3LMNA
SCHEMBL6167025 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1688554-A 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2005-10-26 CN claimed
CN-101012203-B 1,2,4-triazol derivatives, method for preparing the same CJ CORP 2011-02-16 CN disclosed
CN-100357277-C 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2007-12-26 CN disclosed
CN-101012203-A 1,2,4-triazol derivatives, method for preparing the same CJ CORP (KR) 2007-08-08 CN disclosed
US-7019144-B2 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2006-03-28 US disclosed
CN-1688554-A 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2005-10-26 CN disclosed
US-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2005-04-07 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-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CYP4B1, CYP3A5, CYP7A1 TLR8 3571/4885CYP1A2 11/4885CYP2D6 38/4885

“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.