SCHEMBL4839181

SCHEMBL4839181

COc1cccc2c1CC(C(=O)NCc1ccc(CC(=O)O)cc1)N2S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
NPC1 O15118 1/20 0.42
RORC P51449 6/20 0.40
TRPA1 O75762 4/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
ELANE P08246 4/20 0.38
S1PR5 Q9H228 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
SCHEMBL4840659 0.94 BACE1 (0.43) BACE1NPC1RORCTRPA1ELANE
SCHEMBL4841399 0.90 RORC (0.41) NPC1RORCRXRARXRBRXRG
SCHEMBL4834178 0.86 BACE1 (0.47) BACE1RORCTRPA1S1PR5
SCHEMBL4842475 0.86 BACE1 (0.47) BACE1RORCTRPA1S1PR5
SCHEMBL4842623 0.86 BACE1 (0.47) BACE1RORCTRPA1S1PR5
SCHEMBL4841476 0.86 BACE1 (0.46) BACE1RORCTRPA1S1PR5
SCHEMBL4834162 0.86 BACE1 (0.46) BACE1RORCTRPA1S1PR5
Potassium SCHEMBL4841487 0.86 BACE1 (0.46) BACE1RORCTRPA1S1PR5
SCHEMBL4842585 0.85 RORC (0.38) BACE1NPC1RORCTRPA1
SCHEMBL4833927 0.85 TRPA1 (0.41) 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 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 BACE1 94/4885NPC1 51/4885RORC 1777/4885

“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.