SCHEMBL4842663

SCHEMBL4842663

COc1cc(C(=O)O)ccc1CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.42
RORC P51449 5/20 0.41
ELANE P08246 1/20 0.41
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.39
GNRHR P30968 1/20 0.38
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38
NPC1 O15118 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
SCHEMBL4844778 0.94 TRPA1 (0.42) TRPA1RORCELANEKMT2ATDP1
SCHEMBL4039610 0.91 RAB9A (0.47) TRPA1RORCKMT2ATDP1LMNA
SCHEMBL4841797 0.90 RORC (0.42) TRPA1RORCELANEKMT2ATDP1
SCHEMBL4841442 0.89 TRPA1 (0.43) TRPA1RORCGNRHRMMP8MMP3
SCHEMBL4838051 0.89 TRPA1 (0.41) TRPA1RORCELANEKMT2ATDP1
SCHEMBL4842325 0.87 TRPA1 (0.46) TRPA1RORCMMP8MMP3
SCHEMBL4844942 0.87 RORC (0.43) TRPA1RORCKMT2AMMP8MMP3
SCHEMBL4841534 0.86 LIPG (0.45) TRPA1RORCKMT2ALMNARAB9A
SCHEMBL4842736 0.86 GNRHR (0.43) TRPA1RORCLMNAGNRHR
SCHEMBL4833445 0.85 RORC (0.45) TRPA1RORCELANELMNA

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 TRPA1 368/4885RORC 1777/4885ELANE 3852/4885

“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.