SCHEMBL4036029

SCHEMBL4036029

O=C(NCCN1CCOCC1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 1/20 0.42
CYP1A2 P05177 5/20 0.42
CYP2D6 P10635 5/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2C19 P33261 3/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
POLB P06746 1/20 0.41
CACNA1B Q00975 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 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
SCHEMBL4036392 0.92 POLB (0.42) TSHRPOLBCACNA1BALDH1A1MMP1
SCHEMBL4035938 0.88 PSEN1 (0.47) CYP1A2CYP2D6TSHRKMT2AMEN1
SCHEMBL4030753 0.87 HTR7 (0.46) CYP1A2CYP2D6CYP2C19TSHRKMT2A
SCHEMBL4036708 0.87 PSEN1 (0.45) TSHRPOLBCACNA1BALDH1A1MMP1
SCHEMBL4032860 0.86 MAPK1 (0.40) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL4034006 0.86 MMP1 (0.40) LMNAMMP1MMP2MMP9MMP14
SCHEMBL4039147 0.84 RORC (0.42) ALDH1A1LMNAMMP1MMP2MMP9
SCHEMBL4842900 0.84 FFAR4 (0.43) CYP1A2CYP2D6CYP3A4ALDH1A1MMP1
SCHEMBL4841693 0.83 FFAR4 (0.43) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL4840706 0.82 FFAR4 (0.42) MMP1MMP2MMP9MMP14ADAM17

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 IL1B 260/4885CYP1A2 736/4885CYP2D6 2219/4885

“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.