SCHEMBL20724764

SCHEMBL20724764

CC(C)C1C2CC3CC1CC(NCCCNS(=O)(=O)Nc1ccccc1)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.34
ADRB3 P13945 1/20 0.33
EPHX2 P34913 7/20 0.33
EPHX1 P07099 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL19798463 0.87 EPHX2 (0.42) CPB2EPHX2EPHX1NPC1RAB9A
SCHEMBL19808656 0.85 KDM4E (0.33) ADRB3EPHX2EPHX1NPC1RAB9A
SCHEMBL19808698 0.85 ALDH1A1 (0.44) EPHX2KDM4EALDH1A1MAPK1
SCHEMBL20724755 0.70 ALDH1A1 (0.44) EPHX2NPC1RAB9AKDM4EALDH1A1
SCHEMBL19798465 0.70 ALDH1A1 (0.55) EPHX2NPC1RAB9AKDM4EALDH1A1
SCHEMBL19808217 0.69 HSD11B1 (0.37)
SCHEMBL7101866 0.69 KEAP1 (0.42) ADRB3KDM4EALDH1A1
SCHEMBL19798448 0.69 ALDH1A1 (0.43) EPHX2KDM4EALDH1A1MAPK1
SCHEMBL19808685 0.69 EPHX2 (0.71) EPHX2
SCHEMBL19808451 0.68 ALDH1A1 (0.37) EPHX2KDM4EALDH1A1MAPK1

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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 CPB2 2109/4885ADRB3 1557/4885EPHX2 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.