SCHEMBL4841931

SCHEMBL4841931

COC(=O)C(C)c1ccc(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.40
ADAMTS4 O75173 2/20 0.40
MMP13 P45452 2/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
MMP8 P22894 2/20 0.37
MMP3 P08254 1/20 0.37
MMP1 P03956 1/20 0.36
ADAM17 P78536 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
SCHEMBL4837904 0.94 ADAMTS4 (0.43) RORCADAMTS4MMP13ADAMTS5ALDH1A1
SCHEMBL4839408 0.93 RORC (0.41) RORCADAMTS4MMP13ADAMTS5ALDH1A1
SCHEMBL4844640 0.90 FFAR4 (0.39) RORCALDH1A1NPSR1CA12CA1
SCHEMBL4841819 0.88 RORC (0.41) RORCADAMTS4MMP13ADAMTS5ALDH1A1
SCHEMBL4840319 0.87 RORC (0.43) RORCADAMTS4MMP13ADAMTS5ALDH1A1
SCHEMBL4035496 0.87 RORC (0.41) RORCALDH1A1NPSR1MMP8MMP3
SCHEMBL4841404 0.87 RORC (0.42) RORCMMP8MMP3
SCHEMBL4837122 0.86 RORC (0.43) RORCADAMTS4MMP13ADAMTS5MMP8
SCHEMBL4837344 0.86 RORC (0.43) RORCADAMTS4MMP13ADAMTS5MMP8
SCHEMBL4837216 0.85 RORC (0.43) RORCADAMTS5ALDH1A1

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 RORC 1777/4885ADAMTS4 4468/4885MMP13 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.