SCHEMBL3128149

SCHEMBL3128149

Cc1ccc(S(=O)(=O)OCCC2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
MMP13 P45452 3/20 0.47
MMP1 P03956 2/20 0.47
MMP9 P14780 1/20 0.47
GPR119 Q8TDV5 7/20 0.44
SIGMAR1 Q99720 1/20 0.44
ADAM17 P78536 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL29013154 0.84 GPR119 (0.43) ALDH1A1MEN1KMT2AMMP13GPR119
SCHEMBL282240 0.84 GPR119 (0.60) MEN1KMT2AMMP13GPR119
SCHEMBL3119345 0.84 GPR119 (0.44) MEN1KMT2AMMP13GPR119
SCHEMBL3120252 0.83 KMT2A (0.48) MEN1KMT2AMMP13GPR119
SCHEMBL3119461 0.83 KMT2A (0.48) MEN1KMT2AMMP13GPR119
SCHEMBL3119446 0.83 KMT2A (0.48) MEN1KMT2AMMP13GPR119
SCHEMBL3750570 0.82 EPHX2 (0.46) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL3116724 0.82 GPR119 (0.42) MEN1KMT2AMMP13GPR119
SCHEMBL25313896 0.81 GPR119 (0.54) MEN1KMT2AMMP13GPR119
SCHEMBL16415290 0.81 GPR119 (0.54) MEN1KMT2AMMP13GPR119

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 13 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-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 ALDH1A1 201/4885MEN1 1604/4885KMT2A 3222/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ALDH1A1 201/4885MEN1 1604/4885KMT2A 3222/4885

“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.