SCHEMBL4842772

SCHEMBL4842772

O=C(O)Cc1ccc(SCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.37
SCN9A Q15858 1/20 0.35
PTGER3 P43115 1/20 0.34
MMP8 P22894 7/20 0.33
MMP3 P08254 4/20 0.33
RORC P51449 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
TRPA1 O75762 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL4836570 0.93 SCN9A (0.34) SCN9APTGER3MMP8MMP3RORC
SCHEMBL4833568 0.89 PPARD (0.42) PPARDMMP8MMP3RORC
SCHEMBL926678 0.86 RORC (0.37) PPARDPTGER3MMP8MMP3RORC
SCHEMBL4841347 0.85 SLC13A5 (0.41) SCN9AMMP8MMP3PSEN1PSEN2
SCHEMBL4839015 0.84 PSEN1 (0.39) SCN9APTGER3MMP8MMP3PSEN1
SCHEMBL4832648 0.83 SCN9A (0.48) SCN9APTGER3MMP8MMP3TRPA1
SCHEMBL4845199 0.82 FFAR4 (0.44) SCN9APTGER3MMP8MMP3MMP1
SCHEMBL4841619 0.82 ALDH1A1 (0.37) PPARDMMP8MMP3RORCTRPA1
SCHEMBL4842900 0.80 FFAR4 (0.43) SCN9APTGER3MMP8MMP3MMP1
SCHEMBL4841693 0.80 FFAR4 (0.43) SCN9APTGER3MMP8MMP3MMP1

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 PPARD 258/4885SCN9A 1845/4885PTGER3 3044/4885

“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.