SCHEMBL4899376

SCHEMBL4899376

N[C@@H](Cc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.64
THRB P10828 7/20 0.64
ESR1 P03372 1/20 0.64
NR3C1 P04150 1/20 0.64
PGR P06401 1/20 0.64
NR3C2 P08235 1/20 0.64
AR P10275 1/20 0.64
MAOB P27338 4/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
PPARG P37231 1/20 0.47
GRIA2 P42262 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL4812326 1.00 THRA (0.64) THRATHRBESR1NR3C1PGR
SCHEMBL4817169 0.88 THRA (0.51) THRATHRBESR1NR3C1PGR
SCHEMBL4816518 0.86 THRA (0.65) THRATHRBESR1NR3C1PGR
SCHEMBL4813694 0.86 THRA (0.65) THRATHRBESR1NR3C1PGR
SCHEMBL4808172 0.85 THRA (0.67) THRATHRBESR1NR3C1PGR
SCHEMBL44027 0.82 SLC7A5 (0.65) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL44026 0.82 SLC7A5 (0.65) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29400795 0.82 SLC7A5 (0.65) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14935980 0.82 SLC7A5 (0.65) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29567654 0.82 SLC7A5 (0.65) ALPIPKMPTGS1XIAPSLC7A5

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
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 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-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 THRA 559/4885THRB 792/4885ESR1 58/4885

“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.