SCHEMBL3264331

SCHEMBL3264331

Cc1ccc(S(=O)(=O)OCCC2CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
CA2 P00918 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CMA1 P23946 3/20 0.37

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
SCHEMBL3264333 1.00 KMT2A (0.49) KMT2AMEN1CTSLCTSBCTSK
SCHEMBL3111420 0.92 MEN1 (0.41) KMT2AMEN1HRH2HRH1POLB
SCHEMBL3126628 0.92 MEN1 (0.41) KMT2AMEN1HRH2HRH1POLB
SCHEMBL3125194 0.92 MEN1 (0.41) KMT2AMEN1HRH2HRH1POLB
SCHEMBL3123031 0.92 MEN1 (0.41) KMT2AMEN1HRH2HRH1POLB
SCHEMBL3111429 0.92 MEN1 (0.41) KMT2AMEN1HRH2HRH1POLB
SCHEMBL3264310 0.90 KMT2A (0.56) KMT2AMEN1CTSLCTSBCTSK
SCHEMBL3264306 0.90 KMT2A (0.56) KMT2AMEN1CTSLCTSBCTSK
SCHEMBL13520022 0.88 MEN1 (0.51) KMT2AMEN1HRH2HRH1
SCHEMBL3126082 0.83 MEN1 (0.42) KMT2AMEN1HRH2HRH1POLB

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 12 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-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-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 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
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US 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 KMT2A 3222/4885MEN1 1604/4885CTSL 763/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 KMT2A 3222/4885MEN1 1604/4885CTSL 763/4885

“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.