SCHEMBL13701692

SCHEMBL13701692

CC(C)(C)NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.54
EPHX1 P07099 1/20 0.48
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
MMP1 P03956 2/20 0.44
MMP9 P14780 2/20 0.44
MMP13 P45452 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
GLS O94925 1/20 0.43
USP30 Q70CQ3 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.42
ITGB3 P05106 1/20 0.41

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
SCHEMBL1087739 0.87 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8225313 0.87 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL1969563 0.87 MEN1 (0.60) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL5960555 0.86 MEN1 (0.59) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL13401184 0.86 MEN1 (0.59) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL2730887 0.86 MEN1 (0.59) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL14258606 0.84 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL2728991 0.84 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6999290 0.84 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL31334931 0.84 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999977-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20130190303-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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 (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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX KMT2A 3792/4885MEN1 4409/4885ALDH1A1 376/4885
US-20130190303-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C KMT2A 1190/4885MEN1 1883/4885ALDH1A1 1335/4885

“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.