SCHEMBL4036392

SCHEMBL4036392

O=C(NCCN1CCCCC1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 2/20 0.41
KDM2B Q8NHM5 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SLC2A1 P11166 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
ADAM17 P78536 1/20 0.40
SCN9A Q15858 1/20 0.39
CACNA1B Q00975 2/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL4035938 0.94 PSEN1 (0.47) POLBTSHRALDH1A1RECQLKDM2B
SCHEMBL4036708 0.94 PSEN1 (0.45) POLBTSHRALDH1A1RECQLKDM2B
SCHEMBL4036029 0.92 IL1B (0.42) POLBTSHRALDH1A1MMP1MMP2
SCHEMBL4030753 0.89 HTR7 (0.46) POLBTSHRPSEN1PSEN2APH1B
SCHEMBL4034006 0.87 MMP1 (0.40) KDM2BPSEN1PSEN2APH1BNCSTN
SCHEMBL4032860 0.86 MAPK1 (0.40) ALDH1A1KDM2BPSEN1PSEN2APH1B
SCHEMBL4039147 0.85 RORC (0.42) ALDH1A1KDM2BMMP1MMP2MMP9
SCHEMBL4842900 0.85 FFAR4 (0.43) ALDH1A1KDM2BMMP1MMP2MMP9
SCHEMBL4030884 0.85 CYP3A4 (0.47) POLBTSHRALDH1A1KDM2BPSEN1
SCHEMBL4032887 0.84 ITGB2 (0.46) TSHRALDH1A1GAA

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 POLB 4775/4885TSHR 681/4885ALDH1A1 1819/4885

“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.