SCHEMBL12880452

SCHEMBL12880452

CC(C)C(=O)NC[C@@H]1CCCO1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
USP2 O75604 1/20 0.58
HPGD P15428 7/20 0.57
TP53 P04637 1/20 0.57
ALOX12 P18054 1/20 0.57
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
CYP1A2 P05177 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL14368076 1.00 MEN1 (0.59) MEN1KMT2ASMN1; SMN2USP2HPGD
SCHEMBL8404634 1.00 MEN1 (0.59) MEN1KMT2ASMN1; SMN2USP2HPGD
SCHEMBL14322233 0.95 MEN1 (0.58) MEN1KMT2ASMN1; SMN2USP2HPGD
SCHEMBL14321958 0.95 MEN1 (0.58) MEN1KMT2ASMN1; SMN2USP2HPGD
SCHEMBL14321957 0.95 MEN1 (0.58) MEN1KMT2ASMN1; SMN2USP2HPGD
SCHEMBL24898333 0.91 MEN1 (0.49) MEN1KMT2ASMN1; SMN2USP2HPGD
SCHEMBL2778836 0.87 MEN1 (0.57) MEN1KMT2ASMN1; SMN2USP2HPGD
SCHEMBL12573346 0.84 MEN1 (0.54) MEN1KMT2ASMN1; SMN2USP2HPGD
SCHEMBL12312072 0.84 MEN1 (0.54) MEN1KMT2ASMN1; SMN2USP2HPGD
SCHEMBL21227434 0.83 USP2 (0.44) MEN1KMT2ASMN1; SMN2USP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (5 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-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 MEN1 2607/4885KMT2A 2432/4885SMN1; SMN2 3657/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 MEN1 4216/4885KMT2A 2991/4885SMN1; SMN2 2617/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3209/4885KMT2A 1870/4885SMN1; SMN2 1917/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MEN1 3032/4885KMT2A 1449/4885SMN1; SMN2 2049/4885
US-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 MEN1 4478/4885KMT2A 1412/4885SMN1; SMN2 3386/4885

“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.