SCHEMBL19798451

SCHEMBL19798451

CCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
EPHX2 P34913 5/20 0.41
EPHX1 P07099 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL19808622 0.85 CA12 (0.37) CA12CA2CA7CA9CA14
SCHEMBL19808235 0.81 CA12 (0.35) CA12CA2CA7CA9CA14
SCHEMBL17226609 0.77 GRIN2D (0.48) CA12CA2CA7CA9CA14
SCHEMBL3107083 0.75 CA12 (0.63) CA12CA2CA7CA9CA14
SCHEMBL19808618 0.74 CA12 (0.50) CA12CA2CA7CA9CA14
SCHEMBL5817637 0.73 LMNA (0.46) CA12CA2CA7CA9CA14
SCHEMBL12416793 0.73 EPHX2 (0.48) CA12CA2CA7CA9CA14
SCHEMBL19798452 0.72 GRIN2D (0.43) CA12CA2CA7CA9CA14
SCHEMBL19798466 0.72 EPHX2 (0.41) CA12CA2CA7CA9CA14
SCHEMBL19798459 0.71 EPHX2 (0.50) CA2ALDH1A1LMNAKMT2ASMN1; SMN2

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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 CA12 1331/4885CA2 1563/4885CA7 649/4885

“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.