SCHEMBL3686574

SCHEMBL3686574

O=C(O)CCc1ccc(CCNCCCS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.56
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
FFAR4 Q5NUL3 1/20 0.49
MMP12 P39900 3/20 0.49
MMP13 P45452 2/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CA4 P22748 1/20 0.47
MMP2 P08253 1/20 0.47
MMP7 P09237 1/20 0.47
MMP14 P50281 1/20 0.47
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL7010023 0.75 MMP2 (0.68) FFAR1ALDH1A1HDAC1HDAC2MMP12
SCHEMBL8618654 0.75 FFAR1 (1.00) FFAR1FFAR4MMP12MMP13MMP2
SCHEMBL1211561 0.75 FFAR1 (1.00) FFAR1FFAR4MMP12MMP13MMP2
SCHEMBL5284928 0.74 HDAC1 (0.53) ALDH1A1MAPTHDAC1HDAC2CA1
SCHEMBL25360940 0.74 FFAR1 (0.65) FFAR1HDAC1HDAC2FFAR4MMP12
SCHEMBL7630944 0.73 FFAR1 (0.96) FFAR1FFAR4MMP12MMP13MMP2
Hydrochloric Acid SCHEMBL5753893 0.73 FFAR1 (0.96) FFAR1FFAR4MMP12MMP13MMP2
SCHEMBL9813754 0.72 TBXA2R (0.55) FFAR1ALDH1A1HDAC1HDAC2MMP12
SCHEMBL21465371 0.72 CA1 (0.68) CA1CA2CA12CA9CA4
SCHEMBL2872694 0.72 SIGMAR1 (0.66) MAPTHDAC1HDAC2HDAC8RXFP1

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 14/4885ALDH1A1 1050/4885MAPT 3428/4885

“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.