SCHEMBL4836571

SCHEMBL4836571

CCOC(=O)CCSc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.40
RORC P51449 8/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
MMP8 P22894 2/20 0.34
MMP3 P08254 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4840480 0.91 TRPA1 (0.42) TRPA1RORCMMP8MMP3
SCHEMBL4838595 0.90 TRPA1 (0.42) TRPA1RORCLMNAALDH1A1KMT2A
SCHEMBL4833515 0.90 RORC (0.37) TRPA1RORCLMNAALDH1A1KMT2A
SCHEMBL4841583 0.89 P2RX7 (0.39) TRPA1RORCALDH1A1POLBMAPK1
SCHEMBL4837961 0.85 P2RX7 (0.40) TRPA1RORCALDH1A1KMT2A
SCHEMBL4035280 0.84 LMNA (0.49) TRPA1RORCLMNAL3MBTL1MMP8
SCHEMBL4033657 0.83 TP53 (0.47) TRPA1RORCLMNAALDH1A1L3MBTL1
SCHEMBL4039610 0.82 RAB9A (0.47) TRPA1RORCLMNAALDH1A1POLB
SCHEMBL4839704 0.82 TRPA1 (0.42) TRPA1RORCLMNAMMP8MMP3
SCHEMBL4035845 0.82 TRPA1 (0.47) TRPA1RORCMMP8MMP3

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 1777/4885LMNA 1943/4885

“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.