SCHEMBL4843418

SCHEMBL4843418

Cc1cc(C(=O)O)ccc1OCCNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccc(F)cc2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PPARD Q03181 4/20 0.36
RORC P51449 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER3 P43115 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MMP3 P08254 2/20 0.34
MMP8 P22894 2/20 0.34
WDR5 P61964 1/20 0.34
LMNA P02545 1/20 0.34
ERAP1 Q9NZ08 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
SCHEMBL4841408 0.95 TRPA1 (0.36) TRPA1PPARDRORCMAPK1MAPT
SCHEMBL4845148 0.95 TSHR (0.36) TRPA1MRGPRX4PPARDRORCMAPK1
SCHEMBL4839598 0.94 MAPT (0.39) TRPA1TSHRMAPTLMNAERAP1
SCHEMBL4837482 0.94 TSHR (0.35) TRPA1MRGPRX4PPARDRORCMAPK1
SCHEMBL4841609 0.94 TRPA1 (0.36) TRPA1RORCMAPK1TSHRMAPT
SCHEMBL4837168 0.94 MMP8 (0.40) TRPA1RORCMAPK1TSHRMAPT
SCHEMBL4843479 0.93 TRPA1 (0.39) TRPA1MRGPRX4PPARDRORCPPARG
SCHEMBL4845030 0.91 ALDH1A1 (0.40) TRPA1RORCMAPK1PTGER3MMP3
SCHEMBL4845391 0.91 TRPA1 (0.37) TRPA1RORCMAPK1SMN1; SMN2PTGER3
SCHEMBL4845155 0.89 TRPA1 (0.36) TRPA1RORCMAPK1TSHRMAPT

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 368/4885MRGPRX4 675/4885PPARD 258/4885

“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.