SCHEMBL19808698

SCHEMBL19808698

CC(C)C1C2CC3CC1CC(NCCCNS(=O)(=O)c1ccccc1)(C3)C2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.39
HTR7 P34969 1/20 0.39
HSD11B1 P28845 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TBXA2R P21731 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
TPSAB1 Q15661 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
SCHEMBL19798465 0.86 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL20724764 0.85 CPB2 (0.34) ALDH1A1KDM4EMAPK1EPHX2
SCHEMBL20724755 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL20724739 0.81 MAPK1 (0.48) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL19808656 0.70 KDM4E (0.33) ALDH1A1KDM4ESMN1; SMN2EPHX2HSD11B1
SCHEMBL19798463 0.69 EPHX2 (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK1EPHX2
SCHEMBL12640170 0.68 ALDH1A1 (0.78) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL19807171 0.68 KMT2A (0.56) ALDH1A1SMN1; SMN2MAPK1EPHX2GAA
SCHEMBL19798445 0.67 MAPK1 (0.56) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL12672463 0.67 ALDH1A1 (0.81) ALDH1A1KDM4ELMNAPKMSMN1; 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 ALDH1A1 2128/4885KDM4E 159/4885LMNA 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.