SCHEMBL4843626

SCHEMBL4843626

O=C(O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccc(F)cc2OC(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.43
MMP8 P22894 4/20 0.43
MMP3 P08254 3/20 0.43
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
RORC P51449 6/20 0.38
LMNA P02545 1/20 0.38
FPR2 P25090 1/20 0.38
PTGER3 P43115 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TRPA1 O75762 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
SCHEMBL4837661 0.89 MAPT (0.44) MCL1MMP8MMP3LMNA
SCHEMBL4842575 0.86 MMP8 (0.47) MCL1MMP8MMP3RORCLMNA
SCHEMBL4837872 0.85 MMP8 (0.45) MCL1MMP8MMP3LMNAPTGER3
SCHEMBL4834057 0.85 MMP8 (0.45) MCL1MMP8MMP3LMNAPTGER3
SCHEMBL4841170 0.84 TRPA1 (0.44) RORCLMNATRPA1
Hydrochloric Acid SCHEMBL4841948 0.84 MMP8 (0.45) MCL1MMP8MMP3LMNAPTGER3
SCHEMBL4845158 0.83 MMP8 (0.58) MCL1MMP8MMP3LMNA
SCHEMBL4839568 0.82 TRPA1 (0.42) MMP8MMP3RORCPTGER3TRPA1
SCHEMBL13986553 0.78 MCL1 (0.62) MCL1MMP8MMP3LMNA
SCHEMBL4837466 0.78 TRPA1 (0.40) MMP8MMP3RORCPTGER3TRPA1

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 MCL1 3297/4885MMP8 3968/4885MMP3 3739/4885

“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.