SCHEMBL3128244

SCHEMBL3128244

CCC(NC(=O)NC(C)C)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
EPHX1 P07099 3/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
EPHX2 P34913 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
IDO1 P14902 3/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3124334 0.81 EPHX2 (0.39) ALDH1A1EPHX1MEN1KMT2ALMNA
SCHEMBL3119799 0.80 ALDH1A1 (0.36) ALDH1A1EPHX1MEN1KMT2ALMNA
SCHEMBL23051875 0.78 IDO1 (0.36) EPHX1IDO1
SCHEMBL15373221 0.74 IDO1 (0.38) EPHX1IDO1CYP2C19
SCHEMBL13072326 0.74 IDO1 (0.38) EPHX1IDO1CYP2C19
SCHEMBL14277937 0.73 EPHX1 (0.46) ALDH1A1EPHX1KMT2AEPHX2CA12
SCHEMBL11211642 0.73 EPHX1 (0.46) ALDH1A1EPHX1L3MBTL1CA12CA1
SCHEMBL14277938 0.72 IDO1 (0.34) EPHX1MEN1KMT2AIDO1HTT
SCHEMBL20707013 0.72 EPHX1 (0.38) EPHX1IDO1CA12CA1CA2
SCHEMBL8078353 0.72 EPHX1 (0.45) ALDH1A1EPHX1MEN1KMT2AEPHX2

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-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 EP disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ALDH1A1 201/4885EPHX1 2292/4885MEN1 1604/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ALDH1A1 201/4885EPHX1 2292/4885MEN1 1604/4885

“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.