SCHEMBL5865494

SCHEMBL5865494

CS(=O)(=O)c1cc(C(=C(Cl)Cl)c2ccc(Cl)cc2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
PTGS2 P35354 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
IDH1 O75874 1/20 0.36
CCR2 P41597 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
SCHEMBL5865566 0.90 MAPT (0.39) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL5865539 0.88 MAPK1 (0.50) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL5865511 0.85 L3MBTL1 (0.53) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL5865629 0.82 MAPK1 (0.53) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL5865564 0.79 MAPT (0.43) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL5865698 0.78 CCR2 (0.39) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL23148806 0.77 TSHR (0.53) TSHRMAPK1ALDH1A1HTTCCR2
SCHEMBL30019925 0.77 TSHR (0.53) TSHRMAPK1ALDH1A1HTTCCR2
SCHEMBL5865619 0.77 CCR2 (0.41) TSHRCYP3A4MAPK1ATML3MBTL1
SCHEMBL8246019 0.76 HTT (0.59) MAPK1ALDH1A1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091248-B2 Treatment of adrenocortical hypersecretion and tumor growth BRANDT INGVAR 2006-08-15 US disclosed
US-20040242705-A1 Novel treatment of adrenocortical hypersecretion and tumour growth BRANDT INGVAR (SE) 2004-12-02 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-20040242705-A1 Novel treatment of adrenocortical hypersecretion and tumour growth NR3C2, NR5A1, NR3C1 TSHR 118/4885CYP3A4 519/4885MAPK1 2454/4885

“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.