SCHEMBL4842724

SCHEMBL4842724

COC(=O)Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38
POLB P06746 1/20 0.38
RORC P51449 1/20 0.38
XIAP P98170 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
SCHEMBL4841593 0.93 TRPA1 (0.40) TRPA1LMNAMMP8MMP3POLB
SCHEMBL4842502 0.92 TRPA1 (0.43) TRPA1LMNA
SCHEMBL4840572 0.92 LMNA (0.41) TRPA1LMNATP53MMP8MMP3
SCHEMBL4845301 0.92 ALDH1A1 (0.40) TRPA1LMNATP53MMP8MMP3
SCHEMBL4838054 0.90 MMP8 (0.42) TRPA1MMP1MMP9MMP13ADAM17
SCHEMBL4904311 0.86 TRPA1 (0.43) TRPA1LMNA
SCHEMBL4836962 0.85 SCN9A (0.46) TRPA1LMNAMMP1MMP9ADAM17
SCHEMBL1043993 0.84 TRPA1 (0.40) TRPA1LMNAMMP8MMP3RORC
SCHEMBL4833138 0.84 MAPT (0.43) LMNAMMP8MMP3POLB
SCHEMBL3820156 0.84 LMNA (0.43) TRPA1LMNATP53RORCXIAP

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 368/4885LMNA 1943/4885TP53 3219/4885

“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.