SCHEMBL4959620

SCHEMBL4959620

CCO/C(C)=C(/C#N)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PKM P14618 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8783520 1.00 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1IDO1CYP2C9
SCHEMBL4959625 1.00 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1IDO1CYP2C9
SCHEMBL238242 0.88 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL238244 0.88 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL238243 0.88 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL4714435 0.85 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL4714434 0.85 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL17139814 0.85 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL8782964 0.82 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1IDO1CYP2C9
SCHEMBL6719577 0.81 IDO1 (0.41) ALDH1A1TSHRL3MBTL1IDO1CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed
EP-4110779-A1 COMPOUNDS AND METHODS OF USE Exelixis, Inc. (US) 2023-01-04 EP disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 WO 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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX ALDH1A1 3998/4885TSHR 2982/4885L3MBTL1 3091/4885
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 ALDH1A1 3975/4885TSHR 1678/4885L3MBTL1 478/4885

“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.