SCHEMBL6830277

SCHEMBL6830277

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCCC1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.45
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.36
AKR1C3 P42330 2/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL6830175 0.90 ALB (0.46) ALBMEN1KMT2AMAPTTP53
SCHEMBL6834003 0.90 ALB (0.42) ALB
SCHEMBL6821793 0.89 TSHR (0.44) ALBMEN1KMT2AMAPTUSP2
SCHEMBL6830587 0.89 ALB (0.44) ALBMEN1KMT2AMAPTTP53
SCHEMBL6818191 0.87 ALB (0.42) ALBMEN1KMT2AMAPTTP53
SCHEMBL6821795 0.87 KMT2A (0.43) ALBMEN1KMT2AMAPTUSP2
SCHEMBL6833363 0.87 ALB (0.46) ALBMEN1KMT2AMAPTMAPK1
SCHEMBL6817870 0.86 ALB (0.51) ALBMEN1KMT2AMAPTUSP2
SCHEMBL6932502 0.86 ALB (0.54) ALBMEN1KMT2AMAPTMAPK1
SCHEMBL6930797 0.85 ALB (0.53) ALBMEN1KMT2AMAPTMAPK1

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 1417/4885MEN1 4132/4885KMT2A 2853/4885

“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.