SCHEMBL4841372

SCHEMBL4841372

O=C(NCCOc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 8/20 0.39
MMP8 P22894 6/20 0.38
MMP3 P08254 3/20 0.38
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 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
SCHEMBL4039661 0.94 TRPA1 (0.40) TRPA1ALDH1A1HPGDSMN1; SMN2RORC
SCHEMBL4033850 0.93 MAPT (0.39) TRPA1ALDH1A1HPGDSMN1; SMN2RORC
SCHEMBL4033378 0.89 RORC (0.40) TRPA1RORCMMP8MMP3
SCHEMBL4843267 0.88 RORC (0.41) TRPA1RORCMMP8MMP3
SCHEMBL4033168 0.87 THRA (0.38) TRPA1ALDH1A1HPGDSMN1; SMN2MMP8
SCHEMBL4841542 0.87 RORC (0.42) TRPA1RORCMMP8MMP3
SCHEMBL4039136 0.86 RORC (0.41) TRPA1RORC
SCHEMBL4031790 0.86 TRPA1 (0.46) TRPA1ALDH1A1RORCMMP8MMP3
SCHEMBL4842217 0.85 RORC (0.39) TRPA1RORCMMP8MMP3
SCHEMBL4841404 0.85 RORC (0.42) TRPA1RORCMMP8MMP3

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 368/4885ALDH1A1 1819/4885HPGD 3316/4885

“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.