SCHEMBL5111579

SCHEMBL5111579

CC(C)C(=O)Nc1cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
THRA P10827 5/20 0.44
THRB P10828 5/20 0.44
LMNA P02545 1/20 0.42
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
TACR1 P25103 2/20 0.38
ACP1 P24666 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHODH Q02127 2/20 0.37
SENP5 Q96HI0 1/20 0.36
SENP2 Q9HC62 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
ADAM17 P78536 1/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL4929444 0.90 ALDH1A1 (0.46) ALDH1A1THRATHRBLMNAMME
SCHEMBL5110736 0.90 ALDH1A1 (0.46) ALDH1A1THRATHRBLMNAMME
SCHEMBL5109913 0.89 ALDH1A1 (0.46) ALDH1A1THRATHRBLMNAMME
SCHEMBL5118031 0.89 THRB (0.47) ALDH1A1THRATHRBLMNAMME
SCHEMBL5110472 0.89 THRB (0.47) ALDH1A1THRATHRBLMNATACR1
SCHEMBL4934596 0.89 THRA (0.47) ALDH1A1THRATHRBLMNATACR1
SCHEMBL5104439 0.89 THRA (0.47) ALDH1A1THRATHRBLMNATACR1
SCHEMBL5722591 0.88 THRB (0.41) ALDH1A1THRATHRBSMN1; SMN2MRGPRX4
SCHEMBL4929469 0.87 ALDH1A1 (0.43) ALDH1A1THRATHRBLMNAMME
SCHEMBL5111651 0.87 THRA (0.61) ALDH1A1THRATHRBLMNAMME

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 2530/4885THRA 3/4885THRB 4/4885

“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.