SCHEMBL4833757

SCHEMBL4833757

O=C(O)c1ccc(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA9 Q16790 3/20 0.42
MMP8 P22894 8/20 0.40
MMP3 P08254 5/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPA1 O75762 2/20 0.39
PTGER3 P43115 1/20 0.38
FEN1 P39748 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
RAB9A P51151 1/20 0.36
RORC P51449 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
SCHEMBL4842689 0.93 MMP8 (0.39) CA12CA1CA2CA4CA9
SCHEMBL4845030 0.93 ALDH1A1 (0.40) CA12CA1CA2CA4CA9
SCHEMBL4844870 0.92 MAPT (0.42) CA12CA1CA2CA4CA9
SCHEMBL4840536 0.92 MMP8 (0.45) MMP8MMP3ALDH1A1NPSR1PTGER3
SCHEMBL1043997 0.92 MMP8 (0.45) MMP8MMP3ALDH1A1NPSR1PTGER3
SCHEMBL4842258 0.91 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL4833948 0.91 MMP8 (0.43) CA12CA1CA2CA4CA9
SCHEMBL4837224 0.91 HCRTR1 (0.37) CA12CA1CA2CA4CA9
SCHEMBL4838206 0.91 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL4840519 0.91 MMP8 (0.44) MMP8MMP3ALDH1A1NPSR1PTGER3

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 CA12 4875/4885CA1 4641/4885CA2 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.