SCHEMBL1043993

SCHEMBL1043993

O=C(O)Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.40
MMP8 P22894 4/20 0.40
MMP3 P08254 3/20 0.40
LMNA P02545 1/20 0.40
RORC P51449 2/20 0.39
PTGER3 P43115 1/20 0.39
FKBP1A P62942 1/20 0.39
ATM Q13315 1/20 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
SCHEMBL4833963 0.92 ALDH1A1 (0.42) TRPA1MMP8MMP3LMNA
SCHEMBL4840572 0.92 LMNA (0.41) TRPA1MMP8MMP3LMNARORC
SCHEMBL4844332 0.92 MEN1 (0.40) TRPA1MMP8MMP3LMNARORC
SCHEMBL4841593 0.91 TRPA1 (0.40) TRPA1MMP8MMP3LMNARORC
SCHEMBL4904311 0.91 TRPA1 (0.43) TRPA1LMNA
SCHEMBL4833948 0.89 MMP8 (0.43) TRPA1MMP8MMP3PTGER3
SCHEMBL4833927 0.86 TRPA1 (0.41) TRPA1LMNA
SCHEMBL4832648 0.85 SCN9A (0.48) TRPA1MMP8MMP3LMNAPTGER3
SCHEMBL4841061 0.85 ATM (0.45) TRPA1LMNAPTGER3ATM
SCHEMBL4842502 0.84 TRPA1 (0.43) TRPA1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268270-A2 IMPROVED FORMULATIONS FOR POORLY PERMEABLE ACTIVE PHARMACEUTICAL INGREDIENTS Abbott Products GmbH (DE) 2011-01-05 EP claimed
WO-2009130204-A2 IMPROVED FORMULATIONS FOR POORLY PERMEABLE ACTIVE PHARMACEUTICAL INGREDIENTS SOLVAY PHARMACEUTICALS GMBH (DE) 2009-10-29 WO claimed
US-20090263479-A1 FORMULATIONS FOR POORLY PERMEABLE ACTIVE PHARMACEUTICAL INGREDIENTS SOLVAY PHAMACEUTICALS GMBH 2009-10-22 US claimed
EP-2268270-A2 IMPROVED FORMULATIONS FOR POORLY PERMEABLE ACTIVE PHARMACEUTICAL INGREDIENTS Abbott Products GmbH (DE) 2011-01-05 EP disclosed
WO-2009130204-A2 IMPROVED FORMULATIONS FOR POORLY PERMEABLE ACTIVE PHARMACEUTICAL INGREDIENTS SOLVAY PHARMACEUTICALS GMBH (DE) 2009-10-29 WO disclosed
US-20090263479-A1 FORMULATIONS FOR POORLY PERMEABLE ACTIVE PHARMACEUTICAL INGREDIENTS SOLVAY PHAMACEUTICALS GMBH 2009-10-22 US disclosed
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 368/4885MMP8 3968/4885MMP3 3739/4885

“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.