SCHEMBL3979678

SCHEMBL3979678

CC(C)Cc1nc2cc(Oc3c(Br)cc(NC(=O)CC(=O)O)cc3Br)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.56
THRB P10828 9/20 0.56
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LDHA P00338 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PIN1 Q13526 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4298149 0.92 THRA (0.46) THRATHRBALDH1A1MEN1POLB
SCHEMBL3975161 0.89 THRA (0.43) THRATHRBALDH1A1MEN1POLB
SCHEMBL4298483 0.86 THRA (0.45) THRATHRBALDH1A1MEN1POLB
SCHEMBL3989613 0.83 THRB (0.41) THRATHRBMAPT
SCHEMBL3981706 0.80 THRA (0.39) THRATHRBLDHAMAPTPIN1
SCHEMBL3985944 0.80 THRA (0.39) THRATHRBLDHAMAPTPIN1
SCHEMBL3981701 0.80 THRA (0.39) THRATHRBLDHAMAPTPIN1
SCHEMBL4563227 0.80 THRB (0.37) THRATHRB
SCHEMBL3982085 0.74 GRIN1 (0.35) THRATHRBLDHAPIN1
SCHEMBL6513948 0.74 THRA (0.72) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA THRA 3/4885THRB 5/4885ALDH1A1 1459/4885

“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.