SCHEMBL6834002

SCHEMBL6834002

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.52
ALB P02768 1/20 0.47
MCL1 Q07820 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
BCL2A1 Q16548 2/20 0.42
BID P55957 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
FAAH O00519 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
GPR6 P46095 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6814120 0.92 MAPT (0.44) MAPTTSHRALBMCL1MEN1
SCHEMBL6818779 0.88 ALB (0.51) MAPTTSHRALBMCL1MEN1
SCHEMBL6932502 0.87 ALB (0.54) MAPTTSHRALBMEN1KMT2A
SCHEMBL6930797 0.86 ALB (0.53) MAPTTSHRALBMEN1KMT2A
SCHEMBL6814124 0.85 MAPT (0.43) MAPTTSHRALBMCL1MEN1
SCHEMBL6835846 0.85 ALB (0.66) MAPTALBMEN1KMT2AALDH1A1
SCHEMBL6817870 0.84 ALB (0.51) MAPTTSHRALBMEN1KMT2A
SCHEMBL6814358 0.84 ALB (0.51) MAPTTSHRALBMEN1KMT2A
SCHEMBL6818233 0.84 ALB (0.47) TSHRALBMEN1KMT2AALDH1A1
SCHEMBL6830633 0.83 MEN1 (0.48) MAPTTSHRALBMEN1KMT2A

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 MAPT 4759/4885TSHR 3622/4885ALB 1417/4885

“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.