SCHEMBL4841159

SCHEMBL4841159

COc1cc(CC(=O)O)ccc1OCCNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.40
MCHR1 Q99705 1/20 0.40
MMP8 P22894 2/20 0.37
MMP3 P08254 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
PTGDR Q13258 1/20 0.36
PTGER1 P34995 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4840723 0.95 MCHR1 (0.40) RORCMCHR1MMP8MMP3LMNA
SCHEMBL4845413 0.91 PPARD (0.42) RORCMMP8MMP3POLBCYP2C9
SCHEMBL4833071 0.90 PTGDR2 (0.40) MMP8PTGDR2PTGDR
SCHEMBL4837122 0.89 RORC (0.43) RORCMMP8MMP3
SCHEMBL4837344 0.89 RORC (0.43) RORCMMP8MMP3
SCHEMBL4841797 0.89 RORC (0.42) RORCMMP8MMP3LMNAPTGDR2
SCHEMBL4833611 0.89 RORC (0.44) RORCMMP8MMP3
SCHEMBL4841542 0.88 RORC (0.42) RORCMMP8MMP3
SCHEMBL4841488 0.88 ALDH1A1 (0.38) RORCMMP8MMP3CYP2C9CYP2C19
SCHEMBL4842320 0.85 RXRA (0.41) RORCMMP8MMP3PTGDR2PTGDR

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 1777/4885MCHR1 312/4885MMP8 3968/4885

“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.