SCHEMBL20724740

SCHEMBL20724740

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 1/20 0.31
PPARA Q07869 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
SCHEMBL19807169 0.83 SMN1; SMN2 (0.38) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL20724739 0.81 MAPK1 (0.48) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL19798441 0.73 EPHX2 (0.49) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL13126725 0.73 NPSR1 (0.30) NPSR1
SCHEMBL19798442 0.72 SMN1; SMN2 (0.44) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL19807174 0.72 EPHX2 (0.39) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL19808494 0.71 SMN1; SMN2 (0.43) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL19807175 0.70 SMN1; SMN2 (0.36) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL9918346 0.70
SCHEMBL13126726 0.67 CA2 (0.33) LMNAALDH1A1CA1CA2

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 SMN1; SMN2 3655/4885TSHR 2589/4885LMNA 4813/4885

“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.