SCHEMBL4032887

SCHEMBL4032887

O=C(NCCCN1CCCC1=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.46
ICAM1 P05362 7/20 0.46
ITGAL P20701 7/20 0.46
RORC P51449 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 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 0.88 PSEN1 (0.47) ALDH1A1GAATSHRKMT2A
SCHEMBL4030753 0.86 HTR7 (0.46) GAATSHRKMT2A
SCHEMBL4036708 0.86 PSEN1 (0.45) ALDH1A1GAATSHR
SCHEMBL4032860 0.85 MAPK1 (0.40) RORCALDH1A1KDM4E
SCHEMBL4036392 0.84 POLB (0.42) ALDH1A1GAATSHR
SCHEMBL4842900 0.84 FFAR4 (0.43) ALDH1A1KDM4E
SCHEMBL4030884 0.84 CYP3A4 (0.47) L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL4841693 0.84 FFAR4 (0.43)
SCHEMBL4034006 0.83 MMP1 (0.40) RORC
SCHEMBL4840706 0.83 FFAR4 (0.42)

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 ITGB2 4803/4885ICAM1 872/4885ITGAL 4601/4885

“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.