SCHEMBL4891032

SCHEMBL4891032

COC(=O)CCCOc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
RORC P51449 6/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
MMP1 P03956 1/20 0.37
ADAM17 P78536 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL4843069 0.93 RORC (0.43) RORCMEN1KMT2AADAMTS4MMP13
SCHEMBL4843218 0.93 FAAH (0.41) POLBRORCKMT2AMMP8MMP3
SCHEMBL4840183 0.91 FAAH (0.40) POLBRORCKMT2AMMP8MMP3
SCHEMBL4843243 0.91 RORC (0.42) RORCMEN1KMT2AADAMTS4MMP13
SCHEMBL4841819 0.90 RORC (0.41) RORCMMP8MMP3ADAMTS4MMP13
SCHEMBL4833368 0.89 RORC (0.38) RORCADAMTS4MMP13ADAMTS5
SCHEMBL4845058 0.89 RORC (0.40) RORCKMT2A
SCHEMBL4843125 0.88 TRPA1 (0.39) RORCMMP8
SCHEMBL4843354 0.88 RORC (0.40) RORCMMP8MMP3
SCHEMBL4845401 0.87 RORC (0.43) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 4775/4885RORC 1777/4885MEN1 2712/4885

“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.