SCHEMBL4838595

SCHEMBL4838595

CCOC(=O)CCc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.42
RORC P51449 8/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.37
MMP8 P22894 2/20 0.36
EPHX2 P34913 1/20 0.36
MMP3 P08254 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4837961 0.91 P2RX7 (0.40) TRPA1RORCKMT2AALDH1A1CYP3A4
SCHEMBL4836571 0.90 TRPA1 (0.40) TRPA1RORCLMNAKMT2AMMP8
SCHEMBL4843317 0.90 TRPA1 (0.45) TRPA1RORCMMP8MMP3
SCHEMBL4839704 0.89 TRPA1 (0.42) TRPA1RORCLMNAMMP8MMP3
SCHEMBL4845053 0.89 TRPA1 (0.42) TRPA1RORCLMNAMMP8MMP3
SCHEMBL4035280 0.87 LMNA (0.49) TRPA1RORCLMNAMMP8MMP3
SCHEMBL4845190 0.87 TRPA1 (0.44) TRPA1RORCMMP8MMP3
SCHEMBL4843226 0.86 TRPA1 (0.43) TRPA1RORCMMP8MMP3
SCHEMBL4833515 0.86 RORC (0.37) TRPA1RORCLMNAKMT2AALDH1A1
SCHEMBL4039610 0.85 RAB9A (0.47) TRPA1RORCLMNAKMT2AMEN1

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 TRPA1 368/4885RORC 1777/4885LMNA 1943/4885

“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.