SCHEMBL5108656

SCHEMBL5108656

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.39
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
POLB P06746 1/20 0.39
EPHX1 P07099 3/20 0.39
EPHX2 P34913 3/20 0.39
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
RAB9A P51151 1/20 0.38
PTGER1 P34995 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 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
SCHEMBL4931728 0.91 THRA (0.42) ALDH1A1CYP3A4KMT2APOLBTHRA
SCHEMBL4934307 0.91 CYP1A2 (0.37) ALDH1A1CYP3A4KMT2APOLBTHRA
SCHEMBL5110746 0.91 RORC (0.40) ALDH1A1CYP3A4KMT2ASENP5SENP2
SCHEMBL5117132 0.89 THRB (0.49) ALDH1A1CYP3A4TSHRMAPK1KMT2A
SCHEMBL5105005 0.89 TSHR (0.45) ALDH1A1CYP3A4TSHRMAPK1KMT2A
SCHEMBL4933128 0.89 TRPA1 (0.41) ALDH1A1CYP3A4TSHRKMT2APOLB
SCHEMBL5118576 0.88 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRKMT2ASENP5
SCHEMBL5111499 0.88 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRKMT2ASENP5
SCHEMBL5106635 0.88 THRA (0.38) ALDH1A1CYP3A4KMT2APOLBTHRA
SCHEMBL5119273 0.87 KMT2A (0.40) ALDH1A1CYP3A4KMT2ASENP5SENP2

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 2530/4885CYP3A4 2290/4885TSHR 1/4885

“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.