SCHEMBL19798743

SCHEMBL19798743

CC(C)(C)OCCCNC(=O)NS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
EPHX2 P34913 3/20 0.37
MLYCD O95822 1/20 0.36
FBP1 P09467 7/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
ALB P02768 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL19808634 0.78 TSHR (0.53) EPHX2FBP1ALDH1A1KDM4EHPGD
SCHEMBL31522330 0.75 EPHX2 (0.55) CYP4F2CYP4A11EPHX2CA12CA1
SCHEMBL19127532 0.75 EPHX2 (0.55) CYP4F2CYP4A11EPHX2CA12CA1
SCHEMBL6534909 0.74 EPHX1 (0.57) EPHX2FBP1ALDH1A1TDP1LMNA
SCHEMBL10061720 0.74 MAPK1 (0.54) MLYCDNAMPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL19798739 0.74 POLB (0.39) CYP4F2CYP4A11EPHX2MLYCDCA12
SCHEMBL16521081 0.73 POLB (0.46) MLYCDCA12CA1CA2CA9
SCHEMBL19808427 0.73 MLYCD (0.40) MLYCDCA12CA1CA2CA9
SCHEMBL5931148 0.72 EPHX1 (0.67) EPHX2ALDH1A1TDP1LMNAALB
SCHEMBL14241836 0.72 MEN1 (0.59) MLYCDNAMPTTDP1TSHR

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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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 (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 CYP4F2 283/4885CYP4A11 195/4885EPHX2 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.