SCHEMBL4842800

SCHEMBL4842800

COc1cccc2c1CC(C(=O)O)N2S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.44
S1PR5 Q9H228 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
GAA P10253 1/20 0.41
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ADAMTS7 Q9UKP4 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL4833202 0.92 RORC (0.42) RORCGAAPLAUPLATHCRTR1
SCHEMBL4833211 0.86 ALDH1A1 (0.47) GAALMNATSHRKMT2ANPSR1
SCHEMBL4839181 0.84 BACE1 (0.43) RORCS1PR5
SCHEMBL4841400 0.83 MMP8 (0.51) RORCS1PR5ADAMTS7ADAMTS5MMP8
SCHEMBL4843948 0.83 MMP8 (0.51) RORCS1PR5ADAMTS7ADAMTS5MMP8
SCHEMBL4840659 0.83 BACE1 (0.43) RORCHCRTR1HCRTR2NPSR1
SCHEMBL926520 0.83 MEN1 (0.43) GAALMNATSHRKMT2ANPSR1
Hydrochloric Acid SCHEMBL4836340 0.82 MMP8 (0.50) RORCS1PR5ADAMTS7ADAMTS5MMP8
SCHEMBL4841399 0.81 RORC (0.41) RORCPLAUPLATHCRTR1HCRTR2
SCHEMBL4837892 0.81 GHSR (0.41) GAALMNAKMT2AMAPT

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 RORC 1777/4885S1PR5 723/4885AKR1C3 1098/4885

“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.