SCHEMBL3689705

SCHEMBL3689705

CCC(NCCCc1ccc(CCC(=O)O)cc1)S(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.39
FFAR4 Q5NUL3 4/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NR3C1 P04150 1/20 0.38
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR2 O95136 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ULK1 O75385 1/20 0.36

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
SCHEMBL3689007 0.79 CMA1 (0.42) FFAR1FFAR4ALDH1A1NR3C1
SCHEMBL3689702 0.76 FFAR1 (0.41) FFAR1FFAR4ALDH1A1NR3C1S1PR1
SCHEMBL3689701 0.73 LMNA (0.45) FFAR1FFAR4NR3C1
SCHEMBL3686578 0.68 FFAR1 (0.54) FFAR1FFAR4ALDH1A1NPSR1RAB9A
SCHEMBL2941883 0.65 LMNA (0.52) ALDH1A1
SCHEMBL1206307 0.65 ALDH1A1 (0.71) FFAR1FFAR4ALDH1A1S1PR1S1PR3
SCHEMBL193318 0.65 FFAR1 (0.79) FFAR1FFAR4
SCHEMBL13508587 0.65 TDP1 (0.41)
SCHEMBL6285855 0.64 ALDH1A1 (0.72) FFAR1FFAR4ALDH1A1S1PR1S1PR3
Hydrochloric Acid SCHEMBL28568409 0.63 FFAR1 (0.76) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG FFAR1 14/4885FFAR4 16/4885ALDH1A1 1050/4885

“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.