SCHEMBL4182260

SCHEMBL4182260

CCOC(=O)[C@@H](N)Cc1cccc(I)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.45
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
IDO1 P14902 2/20 0.42
GRIA2 P42262 1/20 0.40
MMP8 P22894 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4182256 1.00 SLC7A5 (0.45) SLC7A5NOS3NOS1NOS2IDO1
SCHEMBL16574787 0.87 SLC7A5 (0.52) SLC7A5NOS3NOS1NOS2IDO1
SCHEMBL27762534 0.85 ALDH1A1 (0.50) SLC7A5NOS3NOS1NOS2IDO1
SCHEMBL20543766 0.85 ALDH1A1 (0.50) SLC7A5NOS3NOS1NOS2IDO1
SCHEMBL21117864 0.85 ALDH1A1 (0.50) SLC7A5NOS3NOS1NOS2IDO1
SCHEMBL22479129 0.84 SLC15A1 (0.47) SLC7A5IDO1GRIA2ALPIPKM
SCHEMBL11856496 0.84 GRIA2 (0.55) SLC7A5NOS3NOS1NOS2GRIA2
SCHEMBL2038370 0.84 GRIA2 (0.55) SLC7A5NOS3NOS1NOS2GRIA2
SCHEMBL21117781 0.82 PNMT (0.57) SLC7A5NOS3NOS1NOS2MAPK1
SCHEMBL7339183 0.82 SLC1A1 (0.54) SLC7A5NOS3NOS1NOS2

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-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
EP-1930315-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & COMPANY, LTD. (JP) 2008-06-11 EP 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-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF AADAT, BCAT2, BCAT1 SLC7A5 9/4885NOS3 805/4885NOS1 672/4885

“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.