SCHEMBL6356877

SCHEMBL6356877

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(S(=O)(=O)N2CCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.65
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.58
TP53 P04637 2/20 0.58
PPARG P37231 1/20 0.58
PPARD Q03181 1/20 0.58
PPARA Q07869 1/20 0.58
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 2/20 0.54
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL6357153 0.88 ALB (0.83) ALBKMT2AMEN1TP53PPARG
SCHEMBL6349666 0.85 ALB (0.56) ALBKMT2AMEN1TP53PPARG
SCHEMBL6351816 0.84 HSD17B10 (0.67) ALBKMT2AMEN1TP53KDM4E
SCHEMBL6349310 0.84 ALB (0.83) ALBKMT2AMEN1TP53KDM4E
SCHEMBL6350776 0.83 AKR1C2 (0.56) ALBKMT2AMEN1PPARGPPARD
SCHEMBL6352010 0.83 ALB (0.81) ALBKMT2AMEN1TP53KDM4E
SCHEMBL6357952 0.81 ALB (0.83) ALBKMT2AMEN1TP53KDM4E
SCHEMBL17166275 0.81 AKR1C2 (0.73) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL6352622 0.81 KCNK2 (0.59) ALBKMT2AMEN1ALDH1A1TSHR
SCHEMBL6833780 0.80 ALB (0.55) ALBKMT2AMEN1TP53PPARG

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 ALB 1682/4885KMT2A 3645/4885MEN1 3274/4885

“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.