SCHEMBL5111939

SCHEMBL5111939

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
LMNA P02545 1/20 0.38
TACR1 P25103 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
NR2E1 Q9Y466 4/20 0.36
MAPK1 P28482 1/20 0.36
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
TSHR P16473 1/20 0.35
ACP1 P24666 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
JUN P05412 1/20 0.35

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
SCHEMBL5119332 0.90 THRB (0.43) ALDH1A1MMEACECPA1ACE2
SCHEMBL5110521 0.90 MRGPRX4 (0.39) ALDH1A1MMEACECPA1ACE2
SCHEMBL5112585 0.88 MME (0.41) ALDH1A1MMEACECPA1ACE2
SCHEMBL4934146 0.88 MME (0.40) MMEACECPA1ACE2MRGPRX4
SCHEMBL5119830 0.88 TSHR (0.40) ALDH1A1MRGPRX4LMNAMAPK1TSHR
SCHEMBL4931731 0.88 MRGPRX4 (0.40) MMEACECPA1ACE2MRGPRX4
SCHEMBL4923914 0.87 TRPA1 (0.42) MMEACECPA1ACE2MRGPRX4
SCHEMBL5112161 0.87 ALDH1A1 (0.38) ALDH1A1MRGPRX4TACR1MAPK1TSHR
SCHEMBL4931145 0.86 MME (0.40) ALDH1A1MMEACECPA1ACE2
SCHEMBL5107813 0.86 THRB (0.46) ALDH1A1MRGPRX4LMNANR2E1MAPK1

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 2530/4885MME 2447/4885ACE 3316/4885

“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.