SCHEMBL4844597

SCHEMBL4844597

O=C(O)Cc1ccc(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(I)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 8/20 0.44
MMP3 P08254 5/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGER3 P43115 1/20 0.40
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
ALOX15 P16050 1/20 0.38
PPARD Q03181 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4840569 0.92 MMP8 (0.45) MMP8MMP3ALDH1A1NPSR1PTGER3
SCHEMBL926348 0.89 MMP8 (0.49) MMP8MMP3ALDH1A1NPSR1PTGER3
SCHEMBL926278 0.89 MMP8 (0.44) MMP8MMP3ALDH1A1NPSR1PTGER3
SCHEMBL927537 0.89 MMP8 (0.44) MMP8MMP3ALDH1A1NPSR1PTGER3
SCHEMBL4833189 0.89 MMP8 (0.49) MMP8MMP3ALDH1A1NPSR1PTGER3
SCHEMBL4841566 0.89 MMP8 (0.45) MMP8MMP3ALDH1A1NPSR1KMT2A
SCHEMBL4845085 0.87 MMP8 (0.42) MMP8MMP3ALDH1A1NPSR1PTGER3
SCHEMBL4842792 0.87 MMP8 (0.42) MMP8MMP3ALDH1A1NPSR1PTGER3
SCHEMBL4833409 0.87 MMP8 (0.41) MMP8MMP3ALDH1A1NPSR1PTGER3
SCHEMBL4840055 0.86 MMP8 (0.42) MMP8MMP3ALDH1A1NPSR1MAPT

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.