SCHEMBL19808697

SCHEMBL19808697

CC(C)(C)C1C2CC3CC1CC(NCCCNS(N)(=O)=O)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
EPHX2 P34913 2/20 0.33
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL19808699 0.88 EPHX2 (0.43) CA2EPHX2CA12CA7CA9
SCHEMBL19808702 0.86 CA12 (0.34) CA2EPHX2CA12CA7CA9
SCHEMBL19808619 0.83 CA2 (0.41) CA2CA1EPHX2CA12CA7
SCHEMBL20724755 0.80 ALDH1A1 (0.44) EPHX2
SCHEMBL19808656 0.79 KDM4E (0.33) EPHX2
SCHEMBL20724769 0.78 CA2 (0.33) CA2CA1CA12CA7CA9
SCHEMBL19807169 0.78 SMN1; SMN2 (0.38) CA2CA1
SCHEMBL19798462 0.71 EPHX2 (0.54) CA2EPHX2CA12CA7CA9
SCHEMBL19808235 0.71 CA12 (0.35) CA2CA12CA7CA9CA14
SCHEMBL19798466 0.70 EPHX2 (0.41) CA2EPHX2CA12CA7CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
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 (2 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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 CA2 1563/4885CA1 1754/4885EPHX2 1124/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 CA2 1563/4885CA1 1754/4885EPHX2 1124/4885

“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.