SCHEMBL4040107

SCHEMBL4040107

O=C(O)CCNc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TRPA1 O75762 13/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
XIAP P98170 1/20 0.36
PTGER3 P43115 1/20 0.36

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
SCHEMBL3825818 0.93 XIAP (0.40) ATMTRPA1LMNATP53L3MBTL1
SCHEMBL3890621 0.93 PKM (0.40) ATMTRPA1LMNATP53POLB
SCHEMBL3952543 0.92 TDP1 (0.41) ATMTRPA1LMNATP53POLB
SCHEMBL4032871 0.90 LMNA (0.39) ATMTRPA1LMNATP53L3MBTL1
SCHEMBL4834382 0.86 MAPT (0.41) ATMTRPA1LMNATP53POLB
SCHEMBL4841061 0.85 ATM (0.45) ATMTRPA1LMNATP53L3MBTL1
SCHEMBL4842641 0.85 GNRHR (0.39) ATMTRPA1LMNATP53L3MBTL1
SCHEMBL4030551 0.84 LMNA (0.40) ATMLMNATP53L3MBTL1POLB
SCHEMBL4039085 0.83 ATM (0.45) ATMTRPA1LMNATP53L3MBTL1
SCHEMBL4035980 0.83 TRPA1 (0.43) TRPA1

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 ATM 1808/4885TRPA1 368/4885LMNA 1943/4885

“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.