SCHEMBL6833335

SCHEMBL6833335

Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.49
CCR2 P41597 2/20 0.41
MCL1 Q07820 1/20 0.38
NR3C1 P04150 2/20 0.37
ALB P02768 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
SLC16A3 O15427 2/20 0.34
FBP1 P09467 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK14 Q16539 1/20 0.34
MDM2 Q00987 1/20 0.34
AVPR2 P30518 1/20 0.34
GPR27 Q9NS67 1/20 0.34

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
SCHEMBL6834185 0.85 ACLY (0.45) ACLYALBLMNASMN1; SMN2
SCHEMBL6833916 0.85 ALB (0.37) ALBLMNASMN1; SMN2PPARGPPARD
SCHEMBL6834424 0.83 ALB (0.43) NR3C1ALBLMNAPPARGPPARD
SCHEMBL6834048 0.81 ALB (0.42) MCL1ALBLMNAPPARGPPARD
SCHEMBL6830636 0.81 GLO1 (0.44) CCR2ALB
SCHEMBL6916178 0.79 ALB (0.34) MCL1ALBLMNAPPARGPPARD
SCHEMBL6835709 0.79 ALB (0.40) ALBLMNAPPARGPPARDPPARA
SCHEMBL6835608 0.79 ALB (0.40) MCL1ALBLMNAPPARGPPARD
SCHEMBL6834030 0.79 ALB (0.39) ALBPPARGPPARDPPARA
SCHEMBL6834135 0.78 ALB (0.39) ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ACLY 986/4885CCR2 3933/4885MCL1 2086/4885

“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.