SCHEMBL4841440

SCHEMBL4841440

COc1cccc(-c2ccc(S(=O)(=O)N3c4ccccc4C[C@H]3C(=O)NCCOc3ccc(CC(=O)O)cc3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 2/20 0.42
ADAM17 P78536 2/20 0.42
MMP8 P22894 4/20 0.41
MMP3 P08254 2/20 0.41
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MAPT P10636 1/20 0.40
PPARD Q03181 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4841439 0.92 PPARD (0.46) MMP1MMP9MMP13ADAM17MMP8
SCHEMBL4839633 0.91 MMP8 (0.43) MMP1MMP13ADAM17MMP8MMP3
SCHEMBL4833169 0.91 RORC (0.46) MMP8MMP3ALDH1A1NPSR1PPARD
SCHEMBL4833702 0.90 MMP8 (0.40) MMP13MMP8MMP3ALDH1A1NPSR1
SCHEMBL4833787 0.90 MMP8 (0.40) MMP1MMP9MMP13ADAM17MMP8
SCHEMBL4837344 0.88 RORC (0.43) MMP1MMP13ADAM17MMP8MMP3
SCHEMBL4837122 0.88 RORC (0.43) MMP1MMP13ADAM17MMP8MMP3
SCHEMBL4840055 0.88 MMP8 (0.42) MMP1MMP9MMP13ADAM17MMP8
SCHEMBL4841566 0.88 MMP8 (0.45) MMP1MMP9MMP13ADAM17MMP8
SCHEMBL4833189 0.88 MMP8 (0.49) 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 MMP1 3209/4885MMP9 4080/4885MMP13 4342/4885

“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.