SCHEMBL6817870

SCHEMBL6817870

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCC(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.51
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 4/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
CSF1R P07333 1/20 0.37

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
SCHEMBL6814358 0.93 ALB (0.51) ALBMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL6932502 0.91 ALB (0.54) ALBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6930797 0.90 ALB (0.53) ALBMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL6833363 0.90 ALB (0.46) ALBMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL6834212 0.90 ALB (0.47) ALBMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6835846 0.89 ALB (0.66) ALBMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6833697 0.87 ALB (0.48) ALBMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6818779 0.86 ALB (0.51) ALBMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6830277 0.86 ALB (0.45) ALBMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6830175 0.85 ALB (0.46) ALBMEN1KMT2ASMN1; SMN2ALDH1A1

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 1417/4885MEN1 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.