SCHEMBL5111277

SCHEMBL5111277

CCC(=O)Nc1cc(COc2c(Cl)cc(NC(=O)CC(=O)O)cc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 2/20 0.40
TACR1 P25103 1/20 0.40
ACP1 P24666 1/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDR P35968 1/20 0.37

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 0.92 TRPA1 (0.43) ALDH1A1LMNAMRGPRX4CYP3A4TACR1
SCHEMBL4931364 0.91 LMNA (0.44) ALDH1A1LMNAMRGPRX4TACR1ACP1
SCHEMBL5119858 0.91 LMNA (0.44) ALDH1A1LMNAMRGPRX4TACR1ACP1
SCHEMBL4931483 0.91 TRPA1 (0.47) ALDH1A1LMNAMRGPRX4CYP3A4TACR1
SCHEMBL5107813 0.90 THRB (0.46) ALDH1A1LMNAMRGPRX4TSHRRHOC
SCHEMBL5110472 0.89 THRB (0.47) ALDH1A1LMNAMRGPRX4TACR1ACP1
SCHEMBL4931997 0.89 ALDH1A1 (0.46) ALDH1A1LMNAMRGPRX4TACR1ACP1
SCHEMBL5110736 0.89 ALDH1A1 (0.46) ALDH1A1LMNAMRGPRX4TACR1ACP1
SCHEMBL5116030 0.89 THRA (0.49) ALDH1A1LMNAMRGPRX4THRATHRB
SCHEMBL4929409 0.88 ALDH1A1 (0.43) ALDH1A1LMNAMRGPRX4TACR1ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor KARO BIO AB (SE) 2008-01-03 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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor TSHR, TRHR, THRA ALDH1A1 2530/4885LMNA 3643/4885MRGPRX4 116/4885

“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.