SCHEMBL4842689

SCHEMBL4842689

O=C(O)c1ccc(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 6/20 0.39
MMP3 P08254 3/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GNRHR P30968 1/20 0.38
TRPA1 O75762 3/20 0.37
PTGER3 P43115 1/20 0.37
SRD5A2 P31213 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 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
SCHEMBL4833757 0.93 CA12 (0.42) MMP8MMP3ALDH1A1NPSR1TRPA1
SCHEMBL4841463 0.91 MMP8 (0.42) MMP8MMP3ALDH1A1NPSR1TRPA1
SCHEMBL4845030 0.91 ALDH1A1 (0.40) MMP8MMP3ALDH1A1NPSR1TRPA1
SCHEMBL4844821 0.91 RORC (0.38) MMP8MMP3ALDH1A1NPSR1GNRHR
SCHEMBL4841785 0.91 MAPT (0.36) MMP8MMP3GNRHRTRPA1PTGER3
SCHEMBL4840897 0.91 MMP8 (0.37) MMP8MMP3ALDH1A1NPSR1TRPA1
SCHEMBL4843193 0.91 PTGER3 (0.40) MMP8MMP3TRPA1PTGER3CA12
SCHEMBL4844870 0.91 MAPT (0.42) MMP8MMP3ALDH1A1NPSR1GNRHR
SCHEMBL4842862 0.90 TRPA1 (0.38) TRPA1MAPTPSEN1PSEN2APH1B
SCHEMBL4840536 0.90 MMP8 (0.45) 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 MMP8 3968/4885MMP3 3739/4885ALDH1A1 1819/4885

“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.