SCHEMBL4842829

SCHEMBL4842829

O=C(O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.48
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.40
FKBP1A P62942 1/20 0.39
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
TRPA1 O75762 2/20 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
SCHEMBL4832648 0.92 SCN9A (0.48) SCN9AEPHX2LMNAPOLBFKBP1A
SCHEMBL4038373 0.91 SCN9A (0.46) SCN9AEPHX2LMNAPOLBFKBP1A
SCHEMBL4036738 0.89 SCN9A (0.47) SCN9AEPHX2LMNAPOLBFKBP1A
SCHEMBL4836962 0.88 SCN9A (0.46) SCN9AEPHX2LMNAPOLBFKBP1A
SCHEMBL4837654 0.87 TRPA1 (0.44) MEN1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL4842395 0.87 FFAR4 (0.43) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL4833457 0.86 MMP8 (0.40) MEN1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL4842938 0.86 ALOX5 (0.41) MEN1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL4840756 0.86 SCN9A (0.45) SCN9AMEN1KMT2AEPHX2LMNA
SCHEMBL4844942 0.85 RORC (0.43) MEN1CYP3A4CYP2D6MAPTCYP2C9

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 SCN9A 1845/4885MEN1 2712/4885CYP3A4 448/4885

“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.