SCHEMBL4033447

SCHEMBL4033447

O=C(NCCOc1ccc(C=NNO)cc1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.39
MMP1 P03956 1/20 0.38
ADAM17 P78536 1/20 0.38
MMP8 P22894 4/20 0.37
MMP3 P08254 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 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
SCHEMBL4840319 0.88 RORC (0.43) RORCMMP1ADAM17MMP8MMP3
SCHEMBL4033632 0.88 TRPA1 (0.40) RORCMMP8MMP3KDM4E
SCHEMBL4035496 0.87 RORC (0.41) RORCMMP1ADAM17MMP8MMP3
SCHEMBL4841404 0.87 RORC (0.42) RORCMMP8MMP3
SCHEMBL4837344 0.87 RORC (0.43) RORCMMP1ADAM17MMP8MMP3
SCHEMBL4837122 0.87 RORC (0.43) RORCMMP1ADAM17MMP8MMP3
SCHEMBL4841819 0.85 RORC (0.41) RORCMMP1ADAM17MMP8MMP3
SCHEMBL4837904 0.85 ADAMTS4 (0.43) RORCMMP1ADAM17NPSR1ALDH1A1
SCHEMBL4840605 0.84 RORC (0.44) RORCMMP8MMP3
SCHEMBL4841931 0.84 RORC (0.40) RORCMMP1ADAM17MMP8MMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
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 RORC 1777/4885MMP1 3209/4885ADAM17 4294/4885

“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.