SCHEMBL5865698

SCHEMBL5865698

CS(=O)(=O)c1ccc(C(=C(Cl)Cl)c2ccc(Br)cc2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.39
AKR1C3 P42330 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5865539 0.90 MAPK1 (0.50) CCR2AKR1C3ALDH1A1MEN1KMT2A
SCHEMBL5865566 0.88 MAPT (0.39) CCR2AKR1C3CES2CES1ALDH1A1
SCHEMBL5865619 0.87 CCR2 (0.41) CCR2AKR1C3CES2CES1PIK3CD
SCHEMBL5865564 0.84 MAPT (0.43) CCR2AKR1C3ALDH1A1CA1CA2
SCHEMBL5865494 0.78 TSHR (0.50) CCR2AKR1C3ALDH1A1MEN1KMT2A
SCHEMBL8780064 0.77 HTT (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCA1
SCHEMBL31325736 0.77 HTT (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCA1
SCHEMBL2646368 0.74 HSP90AA1 (0.43) CCR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30085302 0.74 HSP90AA1 (0.43) CCR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9494805 0.74 TSHR (0.59) CES2CES1CA1CA2MEN1

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 4 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
EP-1412311-A1 NOVEL TREATMENT OF ADRENOCORTICAL HYPERSECRETION AND TUMOUR GROWTH Brandt, Ingvar (SE) 2004-04-28 EP disclosed
WO-2003002495-A1 NOVEL TREATMENT OF ADRENOCORTICAL HYPERSECRETION AND TUMOUR GROWTH BRANDT INGVAR (SE) 2003-01-09 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-20040242705-A1 Novel treatment of adrenocortical hypersecretion and tumour growth NR3C2, NR5A1, NR3C1 CCR2 385/4885AKR1C3 62/4885CES2 552/4885

“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.