SCHEMBL3736624

SCHEMBL3736624

CC(C)(C)OC(=O)N1CC(OCc2ccccc2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 4/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCB1 P08183 1/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
STS P08842 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
KLK5 Q9Y337 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HPGD P15428 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL21996514 0.86 ABCB1 (0.42) KLK7ABCB1CTSLCTSBCTSK
SCHEMBL22324617 0.86 ABCB1 (0.42) KLK7ABCB1CTSLCTSBCTSK
SCHEMBL9938446 0.82 PRMT5 (0.51) KLK7ABCB1CTSLCTSBCTSK
SCHEMBL3733942 0.81 USP30 (0.53) MEN1KMT2AHDAC1HDAC6CHRM3
SCHEMBL11232336 0.81 ALDH1A1 (0.55) KMT2AABCB1CTSLCTSBCTSK
SCHEMBL26991537 0.80 MEN1 (0.39) MEN1KMT2ASTSHDAC1HDAC6
SCHEMBL13172926 0.80 KLK7 (0.46) KLK7MEN1KMT2AJAK2JAK1
SCHEMBL3736668 0.78 ALDH1A1 (0.49) MEN1KMT2ACTSLCTSBCTSK
SCHEMBL942191 0.78 JAK2 (0.55) KLK7JAK2JAK1STS
SCHEMBL20503925 0.78 JAK2 (0.55) KLK7JAK2JAK1STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242285-B2 N-tert-butoxycarbonyl-2-pyrrolidinones and production method thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 US disclosed
US-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-25 US disclosed
CN-101415676-A N-tert-butoxycarbonyl-2-pyrrolidinone compounds and method for producing the same SUMITOMO CHEMICAL CO (JP) 2009-04-22 CN disclosed
EP-2008999-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-12-31 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 (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-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF TERT, CBR1, TELO2 KLK7 4366/4885MEN1 2455/4885KMT2A 1777/4885
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof TERT, CBR1, TELO2 KLK7 4366/4885MEN1 2455/4885KMT2A 1777/4885

“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.