SCHEMBL18869100

SCHEMBL18869100

CC(SI)[C@@H](Cc1ccccn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.55
CYP1A2 P05177 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.45
FDPS P14324 1/20 0.44
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS1 P23219 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
SCHEMBL266499 0.77 PTPRA (0.67) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL14962122 0.77 PTPRA (0.67) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL18596979 0.75 PTPRA (0.56) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
Cadaverine Tartrate SCHEMBL28543828 0.73 PTPRA (0.66) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
Alanine SCHEMBL28876933 0.73 PTPRA (0.61) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL18596908 0.72 PTPRA (0.56) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL8843877 0.72 FDPS (0.60) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL10985871 0.72 PTPRA (0.65) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL2684214 0.72 PTPRA (1.00) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL12238431 0.72 PTPRA (1.00) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6

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-20170136019-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-18 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-20170136019-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 PTPRA 4214/4885CYP1A2 872/4885SMN1; SMN2 1246/4885

“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.