SCHEMBL19798739

SCHEMBL19798739

CC(C)(C)OCCCNS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
PKM P14618 1/20 0.31
GRIA1 P42261 3/20 0.30
TSHR P16473 1/20 0.30
MLYCD O95822 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
SCHEMBL18859420 0.87 ALDH1A1 (0.38) POLBALDH1A1MEN1HTTKMT2A
SCHEMBL19798390 0.82 MEN1 (0.40) ALDH1A1MEN1HTTKMT2AMAPK1
SCHEMBL19808425 0.80 CA1 (0.39) MAPK1CA1CA2CA12CA7
SCHEMBL19798742 0.79 HTT (0.49) POLBALDH1A1HTTMAPK1CA1
SCHEMBL48262 0.76 MAPK1 (0.52) POLBALDH1A1MEN1HTTKMT2A
SCHEMBL19798743 0.74 CYP4F2 (0.39) ALDH1A1CA1CA2CA12EPHX2
SCHEMBL4472128 0.74 ALDH1A1 (0.61) POLBALDH1A1MEN1HTTKMT2A
SCHEMBL12090531 0.74 POLB (0.52) POLBALDH1A1MAPTCA1CA2
SCHEMBL9639165 0.73 DUT (0.36) POLBALDH1A1MEN1HTTKMT2A
SCHEMBL9888776 0.72 GAA (0.51) POLBALDH1A1HTTKMT2AMAPT

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 3 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
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 POLB 3403/4885ALDH1A1 2128/4885MEN1 1504/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 POLB 3403/4885ALDH1A1 2128/4885MEN1 1504/4885

“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.