SCHEMBL6917704

SCHEMBL6917704

CCNS(=O)(=O)c1ccc2c(c1)CCO[C@H]2CCOS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.38
PNMT P11086 5/20 0.38
BRD4 O60885 1/20 0.37
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2C9 P11712 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 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
SCHEMBL6812183 0.89 HTT (0.38) HTTALDH1A1PNMTHPGDDRD2
SCHEMBL6811873 0.87 HTR6 (0.39) HTTALDH1A1PNMTDRD2DRD4
SCHEMBL6808621 0.83 HTR2C (0.39) HTTALDH1A1POLBHTR2CHTR2B
SCHEMBL6812993 0.80 HTR1D (0.36) HTTMAPTDRD2DRD4
SCHEMBL5088651 0.80 HTR1D (0.36) HTTMAPTDRD2DRD4
SCHEMBL5090703 0.77 HTR1D (0.41) DRD2DRD4
SCHEMBL6808402 0.77 HTR1D (0.53) DRD2DRD4
SCHEMBL5088740 0.77 HTR1D (0.53) DRD2DRD4
SCHEMBL5138899 0.77 DRD2 (0.47) ALDH1A1HTR2BMAPTDRD2DRD4
SCHEMBL6811792 0.77 HTR1D (0.55) HTTALDH1A1MAPTDRD2DRD4

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-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HTT 1544/4885SMN1; SMN2 1537/4885ALDH1A1 1563/4885

“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.