SCHEMBL6819583

SCHEMBL6819583

CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)sc3C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.53
MAPT P10636 8/20 0.44
THRB P10828 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 4/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.39
SERPINE1 P05121 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39

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
SCHEMBL6818779 0.92 ALB (0.51) ALBMAPTLMNAMEN1KMT2A
SCHEMBL6833979 0.91 HTT (0.52) ALBMAPTLMNAMEN1KMT2A
SCHEMBL6821690 0.88 ALB (0.49) ALBMAPTMEN1KMT2ATSHR
SCHEMBL6932502 0.86 ALB (0.54) ALBMAPTLMNAMEN1KMT2A
SCHEMBL6835846 0.86 ALB (0.66) ALBMAPTLMNAMEN1KMT2A
SCHEMBL6930797 0.86 ALB (0.53) ALBMAPTTHRBLMNAMEN1
SCHEMBL6818233 0.85 ALB (0.47) ALBMEN1KMT2APOLBTP53
SCHEMBL6833972 0.84 ALB (0.44) ALBMAPTLMNAMEN1KMT2A
SCHEMBL6821793 0.83 TSHR (0.44) ALBMAPTLMNAMEN1KMT2A
SCHEMBL6817870 0.83 ALB (0.51) ALBMAPTTHRBLMNAMEN1

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885MAPT 4759/4885THRB 4330/4885

“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.