SCHEMBL4833865

SCHEMBL4833865

O=C(O)CCCc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.42
TRPA1 O75762 1/20 0.40
BACE1 P56817 1/20 0.40
SLC13A5 Q86YT5 1/20 0.40
MMP8 P22894 2/20 0.40
MMP3 P08254 1/20 0.40
S1PR5 Q9H228 1/20 0.39
FFAR1 O14842 1/20 0.38
MC4R P32245 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
SCHEMBL4843350 0.95 RORC (0.43) RORCTRPA1BACE1SLC13A5MMP8
SCHEMBL4833223 0.95 RORC (0.42) RORCTRPA1MMP8MMP3
SCHEMBL4843125 0.92 TRPA1 (0.39) RORCTRPA1BACE1MMP8
SCHEMBL3827372 0.91 RORC (0.46) RORCTRPA1BACE1MMP8MMP3
SCHEMBL4843261 0.91 RORC (0.44) RORCTRPA1BACE1FFAR1
SCHEMBL4845190 0.91 TRPA1 (0.44) RORCTRPA1MMP8MMP3
SCHEMBL4834178 0.91 BACE1 (0.47) RORCTRPA1BACE1MMP8MMP3
SCHEMBL4842475 0.91 BACE1 (0.47) RORCTRPA1BACE1MMP8MMP3
SCHEMBL4842623 0.91 BACE1 (0.47) RORCTRPA1BACE1MMP8MMP3
SCHEMBL4837563 0.91 RORC (0.44) RORCTRPA1BACE1

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 1777/4885TRPA1 368/4885BACE1 94/4885

“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.