SCHEMBL4299282

SCHEMBL4299282

O=C(O)CCCc1cc(Br)c(Oc2ccc3[nH]c(-c4cccc(Cl)c4)nc3c2)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP13 P45452 1/20 0.42
PPARG P37231 2/20 0.42
FFAR1 O14842 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARA Q07869 1/20 0.41
CHEK2 O96017 3/20 0.41
HDAC3 O15379 5/20 0.39
HDAC4 P56524 5/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC10 Q969S8 5/20 0.39

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
SCHEMBL4302551 0.90 CHEK2 (0.46) THRATHRBMMP2MMP9MMP8
SCHEMBL4300893 0.85 CHEK2 (0.46) THRATHRBMMP2MMP9MMP8
SCHEMBL3977650 0.85 CHEK2 (0.44) THRATHRBMMP2MMP9MMP8
SCHEMBL4299146 0.84 THRA (0.49) THRATHRBMMP2MMP9MMP8
SCHEMBL3978262 0.83 HDAC6 (0.48) THRATHRBPPARGFFAR1KDM4E
SCHEMBL3978764 0.81 CHEK2 (0.43) THRATHRBMMP2MMP9MMP8
SCHEMBL3980705 0.80 HDAC6 (0.45) THRATHRBPPARGFFAR1PPARA
SCHEMBL4299049 0.79 THRA (0.48) THRATHRBPPARGPPARACHEK2
SCHEMBL4528770 0.77 THRA (0.46) THRATHRBPPARGPPARACHEK2
SCHEMBL4305218 0.77 THRA (0.47) THRATHRBMMP2MMP9MMP8

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 3 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

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 5/4885MMP2 3389/4885

“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.