SCHEMBL4177243

SCHEMBL4177243

C[C@H](Nc1ccc(F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.43
SCN9A Q15858 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
NPR3 P17342 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
XBP1 P17861 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.41
MMP2 P08253 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 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
SCHEMBL4180831 1.00 FPR2 (0.43) FPR2SCN9AALDH1A1LMNAALOX12
SCHEMBL4183889 0.85 TDP1 (0.51) ALDH1A1LMNANPR3MAPTMEN1
SCHEMBL4187563 0.85 TDP1 (0.51) ALDH1A1LMNANPR3MAPTMEN1
SCHEMBL4821613 0.84 ADRB2 (0.40) ALDH1A1LMNANPR3MAPTMEN1
SCHEMBL7463341 0.83 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL7463329 0.83 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL7990373 0.83 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL7400936 0.83 TSHR (0.53) FPR2SCN9AALDH1A1MAPTMEN1
SCHEMBL28774904 0.83 TSHR (0.53) FPR2SCN9AALDH1A1MAPTMEN1
SCHEMBL8339856 0.83 MAPT (0.53) ALDH1A1LMNAMAPTMEN1KMT2A

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 FPR2 4042/4885SCN9A 573/4885ALDH1A1 131/4885

“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.