SCHEMBL4837623

SCHEMBL4837623

O=C(O)Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.46
RORC P51449 12/20 0.43
MMP8 P22894 2/20 0.40
MMP3 P08254 1/20 0.40
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 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
SCHEMBL4842855 0.92 TRPA1 (0.44) TRPA1RORCMMP8MMP3CYP2C9
SCHEMBL4833021 0.92 TRPA1 (0.42) TRPA1RORCMMP8MMP3POLB
SCHEMBL4842623 0.91 BACE1 (0.47) TRPA1RORCMMP8MMP3POLB
SCHEMBL4834178 0.91 BACE1 (0.47) TRPA1RORCMMP8MMP3POLB
SCHEMBL4842475 0.91 BACE1 (0.47) TRPA1RORCMMP8MMP3POLB
Potassium SCHEMBL4841487 0.90 BACE1 (0.46) TRPA1RORCMMP8MMP3POLB
SCHEMBL4842113 0.90 RORC (0.44) TRPA1RORCMMP8MMP3
SCHEMBL4834162 0.90 BACE1 (0.46) TRPA1RORCMMP8MMP3POLB
SCHEMBL4841476 0.90 BACE1 (0.46) TRPA1RORCMMP8MMP3POLB
SCHEMBL4841797 0.90 RORC (0.42) TRPA1RORCMMP8MMP3LMNA

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 1777/4885MMP8 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.