SCHEMBL4033657

SCHEMBL4033657

O=C(NCc1ccccc1Cl)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TRPA1 O75762 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 2/20 0.45
GNRHR P30968 2/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
RORC P51449 5/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP8 P22894 2/20 0.40
MMP3 P08254 1/20 0.40
EPHX2 P34913 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
SCHEMBL4036756 0.91 TRPA1 (0.53) TP53TRPA1L3MBTL1PKMRORC
SCHEMBL4035845 0.91 TRPA1 (0.47) TRPA1RORCMMP8MMP3
SCHEMBL4030356 0.91 TRPA1 (0.47) TRPA1RORCHTTMMP8MMP3
SCHEMBL4841442 0.91 TRPA1 (0.43) TP53TRPA1MAPTGNRHRRORC
SCHEMBL4035280 0.90 LMNA (0.49) TP53TRPA1L3MBTL1RORCLMNA
SCHEMBL4839816 0.90 TRPA1 (0.46) TRPA1RORCMMP8MMP3
SCHEMBL4842325 0.90 TRPA1 (0.46) TRPA1RORCMMP8MMP3
SCHEMBL4833021 0.90 TRPA1 (0.42) TRPA1RORCLMNAMMP8MMP3
SCHEMBL4842736 0.89 GNRHR (0.43) TP53TRPA1MAPTL3MBTL1GNRHR
SCHEMBL4035910 0.89 TRPA1 (0.45) TP53TRPA1RORCLMNAMMP8

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 TP53 3219/4885TRPA1 368/4885MAPT 763/4885

“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.