SCHEMBL19798741

SCHEMBL19798741

CC(C)(C)OCCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.69
ALDH1A1 P00352 9/20 0.64
TSHR P16473 1/20 0.64
PKM P14618 2/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 1/20 0.62
NPSR1 Q6W5P4 1/20 0.55
TBXA2R P21731 1/20 0.51
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.48
GLRA3 O75311 1/20 0.48
GLRB P48167 1/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL19808635 0.88 MAPK1 (0.66) MAPK1ALDH1A1TSHRPKMLMNA
SCHEMBL3799644 0.84 MEP1B (0.53) MAPK1ALDH1A1TSHRPKMLMNA
SCHEMBL7176062 0.82 MAPK1 (1.00) MAPK1ALDH1A1TSHRPKMLMNA
SCHEMBL12672465 0.80 ALDH1A1 (0.82) MAPK1ALDH1A1TSHRPKMLMNA
SCHEMBL12640167 0.80 ALDH1A1 (0.82) MAPK1ALDH1A1TSHRPKMLMNA
SCHEMBL29687192 0.79 ALDH1A1 (0.80) MAPK1ALDH1A1TSHRPKMLMNA
SCHEMBL10453840 0.79 ALDH1A1 (0.96) MAPK1ALDH1A1TSHRPKMLMNA
SCHEMBL19798740 0.79 MAPK1 (0.43) MAPK1ALDH1A1TSHRPKMLMNA
SCHEMBL1716129 0.79 MAPK1 (0.71) MAPK1ALDH1A1TSHRPKMLMNA
SCHEMBL1880968 0.79 ALDH1A1 (0.72) MAPK1ALDH1A1TSHRPKMLMNA

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 MAPK1 2736/4885ALDH1A1 2128/4885TSHR 2589/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 MAPK1 2736/4885ALDH1A1 2128/4885TSHR 2589/4885

“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.