SCHEMBL4437802

SCHEMBL4437802

CC(C)(C)OC(=O)NCC[C@H]1CC[C@H](N)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
DRD2 P14416 1/20 0.38
TSHR P16473 1/20 0.37
PRMT3 O60678 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
SCHEMBL4437804 1.00 EPHX1 (0.49) EPHX1TDP1MAOAMAOBKMT2A
SCHEMBL12648114 0.92 EPHX1 (0.55) EPHX1TDP1MAOAMAOBKMT2A
SCHEMBL19594077 0.88 TDP1 (0.56) EPHX1TDP1MAOAMAOBKMT2A
SCHEMBL23236537 0.87 EPHX1 (0.49) EPHX1TDP1MAOAMAOBKMT2A
SCHEMBL23235247 0.87 EPHX1 (0.49) EPHX1TDP1MAOAMAOBKMT2A
SCHEMBL14416206 0.87 EPHX1 (0.49) EPHX1TDP1MAOAMAOBKMT2A
SCHEMBL3187239 0.85 KMT2A (0.50) EPHX1TDP1KMT2ACTSSCTSK
SCHEMBL4433316 0.85 EPHX1 (0.50) EPHX1TDP1MAOAMAOBKMT2A
SCHEMBL5030185 0.85 TDP1 (0.51) EPHX1TDP1MAOAMAOBKMT2A
SCHEMBL3187247 0.85 KMT2A (0.50) EPHX1TDP1KMT2ACTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981882-B1 Compound for inhibiting IDO, a manufacturing method and a use thereof SHANGHAI JOYU PHARMATECH LTD. (CN) 2021-04-20 US disclosed
US-20210107882-A1 COMPOUND FOR INHIBITING IDO, A MANUFACTURING METHOD AND A USE THEREOF SHANGHAI JOYU PHARMATECH LTD. (CN) 2021-04-15 US disclosed
EP-2124951-A1 5-CYAN0-4- (PYRROLO Ý2, 3B¨PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2009-12-02 EP disclosed
WO-2008079346-A1 5-CYAN0-4- (PYRROLO [2, 3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-07-03 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-20210107882-A1 COMPOUND FOR INHIBITING IDO, A MANUFACTURING METHOD AND A USE THEREOF IDO1, IDO2, KYNU EPHX1 1581/4885TDP1 3518/4885MAOA 45/4885
US-10981882-B1 Compound for inhibiting IDO, a manufacturing method and a use thereof IDO1, IDO2, KYNU EPHX1 1674/4885TDP1 3464/4885MAOA 76/4885

“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.