SCHEMBL4931483

SCHEMBL4931483

CCCNc1cc(COc2c(Cl)cc(NC(=O)CC(=O)O)cc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MRGPRX4 Q96LA9 2/20 0.39
TACR1 P25103 1/20 0.38
CCR2 P41597 1/20 0.38
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
RHOC P08134 2/20 0.37
RHOA P61586 2/20 0.37
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4935433 0.93 TRPA1 (0.43) TRPA1CYP1A2LMNAALDH1A1MRGPRX4
SCHEMBL5111277 0.91 ALDH1A1 (0.46) LMNAALDH1A1MRGPRX4TACR1MEN1
SCHEMBL4929708 0.90 TRPA1 (0.47) TRPA1CYP1A2LMNAALDH1A1TACR1
SCHEMBL4929668 0.89 TRPA1 (0.48) TRPA1CYP1A2LMNAALDH1A1TACR1
SCHEMBL5119858 0.89 LMNA (0.44) LMNAALDH1A1MRGPRX4TACR1RHOC
SCHEMBL4931364 0.89 LMNA (0.44) LMNAALDH1A1MRGPRX4TACR1RHOC
SCHEMBL4932487 0.87 MEN1 (0.37) LMNAMRGPRX4MEN1KMT2AMAPT
SCHEMBL4935573 0.86 PPARD (0.45) TRPA1CYP1A2MRGPRX4SMN1; SMN2
SCHEMBL4933128 0.86 TRPA1 (0.41) TRPA1CYP1A2LMNAALDH1A1MRGPRX4
SCHEMBL4931997 0.86 ALDH1A1 (0.46) TRPA1LMNAALDH1A1MRGPRX4TACR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 US disclosed
EP-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 WO 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA TRPA1 675/4885CYP1A2 1307/4885LMNA 3893/4885

“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.