SCHEMBL4842449

SCHEMBL4842449

COC(=O)Cc1ccc(CNC(=O)C2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
TRPA1 O75762 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RORC P51449 5/20 0.40
MMP8 P22894 4/20 0.40
MMP3 P08254 2/20 0.40
LMNA P02545 1/20 0.40
ELANE P08246 4/20 0.39

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
SCHEMBL4843822 1.00 BACE1 (0.45) BACE1TRPA1ALDH1A1CYP3A4CYP2C9
SCHEMBL4841652 0.95 NPC1 (0.41) BACE1TRPA1ALDH1A1CYP3A4CYP2C9
SCHEMBL4839795 0.93 TRPA1 (0.40) BACE1TRPA1RORCMMP8LMNA
SCHEMBL4834165 0.92 BACE1 (0.47) BACE1TRPA1RORCMMP8MMP3
Potassium Ion SCHEMBL4841481 0.92 BACE1 (0.47) BACE1TRPA1RORCMMP8MMP3
SCHEMBL4834178 0.92 BACE1 (0.47) BACE1TRPA1CYP2C9CYP2C19RORC
SCHEMBL4842623 0.92 BACE1 (0.47) BACE1TRPA1CYP2C9CYP2C19RORC
SCHEMBL4842475 0.92 BACE1 (0.47) BACE1TRPA1CYP2C9CYP2C19RORC
SCHEMBL4843312 0.91 TRPA1 (0.40) BACE1TRPA1ALDH1A1CYP3A4CYP2C9
SCHEMBL4842855 0.91 TRPA1 (0.44) TRPA1ALDH1A1CYP3A4CYP2C9CYP2C19

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 BACE1 94/4885TRPA1 368/4885ALDH1A1 1819/4885

“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.