SCHEMBL1725474

SCHEMBL1725474

CC(C)(C)OCC(=O)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
USP2 O75604 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
FKBP1A P62942 8/20 0.50
POLB P06746 3/20 0.50
CTSD P07339 2/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
RAB9A P51151 2/20 0.48
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL18747345 0.82 HPGD (0.41) L3MBTL1SMN1; SMN2POLBRAB9ATSHR
SCHEMBL12389242 0.82 ATM (0.45) L3MBTL1SMN1; SMN2POLBRAB9ATSHR
SCHEMBL14440883 0.81 HPGD (0.47) L3MBTL1SMN1; SMN2POLBRAB9ATSHR
SCHEMBL13225632 0.79 ALDH1A1 (0.46) L3MBTL1SMN1; SMN2POLBALDH1A1HPGD
SCHEMBL16591612 0.79 L3MBTL1 (0.37) L3MBTL1USP2SMN1; SMN2POLBRAB9A
SCHEMBL18026620 0.79 L3MBTL1 (0.70) L3MBTL1USP2SMN1; SMN2FKBP1APOLB
SCHEMBL13221508 0.79 L3MBTL1 (0.59) L3MBTL1USP2SMN1; SMN2FKBP1APOLB
SCHEMBL5986412 0.79 L3MBTL1 (0.70) L3MBTL1USP2SMN1; SMN2FKBP1APOLB
SCHEMBL12139844 0.78 TPSAB1 (0.47) L3MBTL1SMN1; SMN2POLBRAB9AALDH1A1
SCHEMBL25962133 0.78 L3MBTL1 (0.36) L3MBTL1USP2SMN1; SMN2POLBRAB9A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2015-01-08 US disclosed
US-8809341-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090105251-A1 Renin inhibitors TAKEDA SAN DIEGO, INC. 2009-04-23 US disclosed
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-31 US disclosed
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-31 US disclosed
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-24 US disclosed
US-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20070191363-A1 Heteroalkyl-substituted biphenyl-4-carboxylic acid arylamide analogues NEUROGEN CORPORATION (US) 2007-08-16 US 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 (8 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-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA L3MBTL1 2445/4885USP2 3853/4885SMN1; SMN2 2043/4885
US-20070191363-A1 Heteroalkyl-substituted biphenyl-4-carboxylic acid arylamide analogues AHR, HCAR2, HCAR1 L3MBTL1 2188/4885USP2 2350/4885SMN1; SMN2 3167/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 L3MBTL1 4205/4885USP2 3472/4885SMN1; SMN2 1192/4885
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA L3MBTL1 2445/4885USP2 3853/4885SMN1; SMN2 2043/4885
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA L3MBTL1 2445/4885USP2 3853/4885SMN1; SMN2 2043/4885
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA L3MBTL1 2445/4885USP2 3853/4885SMN1; SMN2 2043/4885
US-20090105251-A1 Renin inhibitors REN, ACE, AGT L3MBTL1 4882/4885USP2 1731/4885SMN1; SMN2 4705/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN L3MBTL1 2450/4885USP2 2030/4885SMN1; SMN2 3464/4885

“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.