SCHEMBL4613472

SCHEMBL4613472

CC(C)(C)OC(=O)NCC(=O)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TSHR P16473 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CTSL P07711 3/20 0.56
CTSB P07858 3/20 0.56
CTSD P07339 2/20 0.56
CTSS P25774 2/20 0.56
USP2 O75604 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SIGMAR1 Q99720 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
CTSK P43235 3/20 0.45
GLA P06280 1/20 0.45
RECQL P46063 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CD274 Q9NZQ7 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
SCHEMBL1329658 0.85 TSHR (0.62) ALDH1A1TSHRMEN1KMT2ACTSL
SCHEMBL1328433 0.85 CTSD (0.54) ALDH1A1TSHRMEN1KMT2ACTSL
SCHEMBL4472678 0.84 TSHR (0.60) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL13627741 0.83 GLA (0.54) ALDH1A1TSHRL3MBTL1GLAHTT
SCHEMBL25313503 0.83 ALDH1A1 (0.59) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL5445038 0.83 ALDH1A1 (0.59) ALDH1A1TSHRMEN1KMT2ACTSL
SCHEMBL28018778 0.83 MEN1 (0.59) ALDH1A1TSHRMEN1KMT2ACTSL
SCHEMBL9354347 0.82 SIGMAR1 (0.56) ALDH1A1TSHRMEN1KMT2ACTSL
SCHEMBL19820853 0.82 KMT2A (0.50) ALDH1A1TSHRMEN1KMT2ACTSL
SCHEMBL9358258 0.81 GLA (0.54) ALDH1A1MEN1KMT2ACTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504653-A Carboxylic acid amidation method 国网安徽省电力有限公司电力科学研究院 2025-02-25 CN disclosed
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2017-08-31 US disclosed
US-9630931-B2 Pharmaceutically active pyrazine derivatives SENTINEL ONCOLOGY LIMITED (GB) 2017-04-25 US disclosed
EP-2780331-B1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LTD (GB) 2016-04-20 EP disclosed
US-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives SENTINEL ONCOLOGY LIMITED (GB) 2014-10-30 US disclosed
EP-2780331-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES Sentinel Oncology Limited (GB) 2014-09-24 EP disclosed
WO-2013072502-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2013-05-23 WO disclosed
EP-1495009-B1 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2008-03-12 EP disclosed
EP-1495009-B1 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2008-03-12 EP disclosed
US-6878706-B1 Cyanamides useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-04-12 US disclosed
EP-1495009-A2 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-01-12 EP disclosed
WO-2003086325-A2 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed
WO-2003086325-A2 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-23 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-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives PHKG1, PHKG2, PLK2 ALDH1A1 3558/4885TSHR 2138/4885MEN1 2168/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 ALDH1A1 3827/4885TSHR 2077/4885MEN1 1807/4885

“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.