SCHEMBL4187563

SCHEMBL4187563

Cc1ccc(N[C@@H](C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
XBP1 P17861 1/20 0.51
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
MMP8 P22894 1/20 0.42
MAPT P10636 8/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
NLRP1 Q9C000 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NPR3 P17342 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4183889 1.00 TDP1 (0.51) TDP1XBP1CA12CA1MMP8
SCHEMBL4821613 0.85 ADRB2 (0.40) TDP1XBP1CA12CA1MAPT
SCHEMBL4177243 0.85 FPR2 (0.43) TDP1XBP1CA12MAPTMAPK1
SCHEMBL4180831 0.85 FPR2 (0.43) TDP1XBP1CA12MAPTMAPK1
SCHEMBL7463329 0.85 MAPT (0.50) TDP1MAPTKDM4EMAPK1ATM
SCHEMBL7990373 0.85 MAPT (0.50) TDP1MAPTKDM4EMAPK1ATM
SCHEMBL7463341 0.85 MAPT (0.50) TDP1MAPTKDM4EMAPK1ATM
Hydrochloric Acid SCHEMBL4822641 0.84 ADRB2 (0.40) TDP1XBP1CA12CA1MAPT
SCHEMBL8339856 0.84 MAPT (0.53) MAPTALDH1A1KMT2ANPSR1LMNA
Hydrochloric Acid SCHEMBL3881057 0.83 MAPT (0.49) TDP1MAPTKDM4EMAPK1ATM

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-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
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 TDP1 3959/4885XBP1 4377/4885CA12 2058/4885

“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.