SCHEMBL4840464

SCHEMBL4840464

COc1cc(F)ccc1-c1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)NCCOc2c(C)cc(C(=O)O)cc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.39
MAPT P10636 2/20 0.38
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
RORC P51449 1/20 0.35
MMP3 P08254 2/20 0.35
MMP8 P22894 2/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
XIAP P98170 1/20 0.35

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
SCHEMBL4840901 0.94 TRPA1 (0.39) TRPA1MAPTMMP1MMP9MMP13
SCHEMBL4845391 0.94 TRPA1 (0.37) TRPA1MMP1MMP9MMP13ADAM17
SCHEMBL4841283 0.93 TRPA1 (0.37) TRPA1MMP1MMP9MMP13ADAM17
SCHEMBL4839598 0.92 MAPT (0.39) TRPA1MAPTMMP1MMP9MMP13
SCHEMBL4839545 0.92 TRPA1 (0.36) TRPA1MAPTMMP1MMP9MMP13
SCHEMBL4833269 0.91 MMP8 (0.43) TRPA1MAPTRORCMMP3MMP8
SCHEMBL4844870 0.90 MAPT (0.42) TRPA1MAPTMMP1MMP9MMP13
SCHEMBL4842573 0.89 MAPT (0.39) TRPA1MAPTDRD2DRD4DRD3
SCHEMBL4838499 0.89 TRPA1 (0.37) TRPA1MAPTMMP1MMP9MMP13
SCHEMBL4832976 0.88 MAPT (0.39) TRPA1MAPTMMP1MMP9MMP13

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-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 TRPA1 368/4885MAPT 763/4885MMP1 3209/4885

“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.