SCHEMBL4837568

SCHEMBL4837568

CC(C)(C)OC(=O)CCOc1cccc(CCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.39
HDAC8 Q9BY41 1/20 0.38
PTPN1 P18031 1/20 0.36
ERBB2 P04626 1/20 0.36
ERBB4 Q15303 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL4833368 0.97 RORC (0.38) RORCHDAC8PTPN1ERBB2ERBB4
SCHEMBL4843106 0.92 RORC (0.43) RORCERBB2ERBB4
SCHEMBL4845401 0.90 RORC (0.43) RORCERBB2ERBB4
SCHEMBL4844796 0.90 PTPN1 (0.39) RORCHDAC8PTPN1
SCHEMBL4842798 0.89 PTPN1 (0.39) RORCHDAC8PTPN1
SCHEMBL4833738 0.87 PTPN1 (0.39) RORCPTPN1
SCHEMBL4841421 0.87 RORC (0.40) RORCADAMTS4MMP13ADAMTS5
SCHEMBL4841876 0.86 RORC (0.39) RORCADAMTS4MMP13ADAMTS5
SCHEMBL4843243 0.86 RORC (0.42) RORCADAMTS4MMP13ADAMTS5
SCHEMBL4891032 0.85 POLB (0.40) RORCADAMTS4MMP13ADAMTS5

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 1777/4885HDAC8 1142/4885PTPN1 1931/4885

“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.