SCHEMBL4841713

SCHEMBL4841713

CC(C)(C)OC(=O)Cc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
PTPN1 P18031 1/20 0.39
FKBP1A P62942 1/20 0.38
POLB P06746 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
BDKRB1 P46663 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
RORC P51449 1/20 0.35
SLC13A5 Q86YT5 1/20 0.35
MMP8 P22894 2/20 0.35
MMP3 P08254 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4838060 0.94 PTPN1 (0.39) SCN9APTPN1FKBP1APOLBPSEN1
SCHEMBL4841347 0.90 SLC13A5 (0.41) SCN9AFKBP1APOLBPSEN1PSEN2
SCHEMBL4833738 0.87 PTPN1 (0.39) PTPN1FKBP1APOLBRORCMMP8
SCHEMBL4836962 0.86 SCN9A (0.46) SCN9AFKBP1APOLBMMP8MMP3
SCHEMBL4839015 0.84 PSEN1 (0.39) SCN9AFKBP1APSEN1PSEN2APH1B
SCHEMBL4842444 0.83 MAPK1 (0.40) SCN9APOLBPSEN1PSEN2APH1B
SCHEMBL4034006 0.83 MMP1 (0.40) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL4845199 0.82 FFAR4 (0.44) SCN9AALDH1A1NPSR1MMP8MMP3
SCHEMBL4832648 0.82 SCN9A (0.48) SCN9AFKBP1APOLBSLC13A5MMP8
SCHEMBL4203772 0.82 MAPK1 (0.42) SCN9AALDH1A1MAPK1NPSR1RORC

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 1845/4885PTPN1 1931/4885FKBP1A 3267/4885

“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.