SCHEMBL6830587

SCHEMBL6830587

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCCC1CO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.44
CNR2 P34972 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
CHRM3 P20309 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PRSS12 P56730 2/20 0.34
LOX P28300 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6834003 0.92 ALB (0.42) ALB
SCHEMBL6818191 0.91 ALB (0.42) ALBCNR2MEN1KMT2ABRD4
SCHEMBL6821795 0.91 KMT2A (0.43) ALBMEN1KMT2AALDH1A1MAPT
SCHEMBL6830277 0.89 ALB (0.45) ALBMEN1KMT2ABRD4ALDH1A1
SCHEMBL6830175 0.88 ALB (0.46) ALBMEN1KMT2AALDH1A1PRSS12
SCHEMBL6932502 0.84 ALB (0.54) ALBCNR2MEN1KMT2AALDH1A1
SCHEMBL6930797 0.83 ALB (0.53) ALBCNR2MEN1KMT2AALDH1A1
SCHEMBL6833363 0.83 ALB (0.46) ALBMEN1KMT2AALDH1A1MAPT
SCHEMBL6817870 0.82 ALB (0.51) ALBMEN1KMT2AALDH1A1MAPT
SCHEMBL6814358 0.82 ALB (0.51) ALBMEN1KMT2AALDH1A1MAPT

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 ALB 1417/4885CNR2 3495/4885MEN1 4132/4885

“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.