SCHEMBL4039810

SCHEMBL4039810

O=C(NCCc1cccnc1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RORC P51449 4/20 0.41
NAMPT P43490 4/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 1/20 0.40
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
ADAM17 P78536 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM4 P08173 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 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
SCHEMBL4036289 0.92 NAMPT (0.47) MEN1KMT2ARORCNAMPTTSHR
SCHEMBL4211574 0.92 MMP8 (0.41) MEN1KMT2ARORC
SCHEMBL4841425 0.88 KMT2A (0.42) MEN1KMT2ARORCCYP11B1CYP11B2
SCHEMBL4845228 0.87 RORC (0.41) MEN1KMT2ARORCNAMPT
SCHEMBL4845363 0.87 RORC (0.43) RORC
SCHEMBL4842635 0.86 RORC (0.42) MEN1KMT2ARORCALDH1A1
SCHEMBL4842554 0.86 RORC (0.43) RORCALDH1A1
SCHEMBL4842556 0.86 RORC (0.43) RORC
SCHEMBL4039310 0.85 TRPA1 (0.45) RORCNAMPT
SCHEMBL4837253 0.85 RORC (0.41) RORCNAMPTMAPT

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 MEN1 2712/4885KMT2A 1435/4885RORC 1777/4885

“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.