SCHEMBL4842556

SCHEMBL4842556

O=C(O)CCc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.43
DNMT1 P26358 1/20 0.42
CASP6 P55212 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41
MMP8 P22894 2/20 0.41
MMP3 P08254 1/20 0.41
MME P08473 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
FKBP1A P62942 1/20 0.40

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
SCHEMBL4843350 0.94 RORC (0.43) RORCDNMT1CASP6TDP1L3MBTL1
SCHEMBL4842554 0.94 RORC (0.43) RORCCA12CA1CA2CA9
SCHEMBL4842635 0.92 RORC (0.42) RORCCA12CA1CA2CA9
SCHEMBL4843243 0.92 RORC (0.42) RORCCA12CA1CA2CA9
SCHEMBL4843069 0.92 RORC (0.43) RORCCA12CA1CA2CA9
SCHEMBL4844796 0.90 PTPN1 (0.39) RORCCA12CA1CA2CA9
SCHEMBL4842032 0.90 RORC (0.43) RORCMMP8MMP3
SCHEMBL4845363 0.90 RORC (0.43) RORCMMP8MMP3
SCHEMBL4211574 0.90 MMP8 (0.41) RORCCA12CA1CA2CA9
SCHEMBL4833865 0.89 RORC (0.42) RORCSLC13A5MMP8MMP3

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 RORC 1777/4885DNMT1 3202/4885CASP6 2621/4885

“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.