SCHEMBL4035728

SCHEMBL4035728

O=C(NCCc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51
PSENEN Q9NZ42 2/20 0.51
MMP8 P22894 7/20 0.47
MMP3 P08254 6/20 0.47
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.43
FKBP1A P62942 1/20 0.42

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
SCHEMBL926215 0.87 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL926834 0.86 RORC (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL928733 0.86 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4031469 0.83 MMP8 (0.50) MMP8MMP3ALDH1A1POLBFKBP1A
SCHEMBL926406 0.82 FKBP1A (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL927527 0.81 FKBP1A (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5302286 0.80 KDM4E (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5250841 0.80 ALDH1A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4833189 0.80 MMP8 (0.49) MMP8MMP3ALDH1A1
SCHEMBL4841566 0.80 MMP8 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP 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 PSEN1 100/4885PSEN2 309/4885APH1B 926/4885

“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.