SCHEMBL6833979

SCHEMBL6833979

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
ALB P02768 2/20 0.49
GPR6 P46095 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 7/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 4/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
PTPN7 P35236 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 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
SCHEMBL6818779 0.93 ALB (0.51) HTTTSHRMAPK1ALBGPR6
SCHEMBL6821793 0.92 TSHR (0.44) HTTTSHRMAPK1ALBGPR6
SCHEMBL6819583 0.91 ALB (0.53) HTTTSHRMAPK1ALBMEN1
SCHEMBL6821690 0.89 ALB (0.49) HTTTSHRMAPK1ALBMEN1
SCHEMBL6932502 0.87 ALB (0.54) TSHRMAPK1ALBMEN1KMT2A
SCHEMBL6835846 0.87 ALB (0.66) HTTALBMEN1KMT2AMAPT
SCHEMBL6930797 0.86 ALB (0.53) TSHRMAPK1ALBMEN1KMT2A
SCHEMBL6833972 0.86 ALB (0.44) TSHRALBMEN1KMT2AMAPT
SCHEMBL6818233 0.85 ALB (0.47) HTTTSHRALBGPR6MEN1
SCHEMBL6821796 0.84 HTT (0.42) HTTTSHRMAPK1ALBGPR6

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 HTT 1599/4885TSHR 3622/4885MAPK1 2575/4885

“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.