SCHEMBL16049580

SCHEMBL16049580

COC(=O)OC1(C#CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP13 P45452 5/20 0.35
ADAM17 P78536 5/20 0.35
MMP2 P08253 2/20 0.34
PKM P14618 1/20 0.34
MMP14 P50281 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
RECQL P46063 1/20 0.33
NAMPT P43490 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL16049629 0.83 MMP13 (0.44) USP2SMN1; SMN2MMP13ADAM17MMP2
SCHEMBL16049686 0.82 USP2 (0.40) USP2SMN1; SMN2MMP13ADAM17PKM
SCHEMBL16050964 0.80
SCHEMBL27129228 0.77 USP2 (0.38) USP2SMN1; SMN2MMP13ADAM17PKM
SCHEMBL16049584 0.76 TSHR (0.39) USP2SMN1; SMN2MMP13ADAM17MMP2
SCHEMBL16049692 0.76 USP2 (0.38) USP2SMN1; SMN2MMP13ADAM17MMP2
SCHEMBL25275634 0.75 USP2 (0.47) USP2SMN1; SMN2PKMGPR119RECQL
SCHEMBL28670704 0.73 USP2 (0.43) USP2SMN1; SMN2MMP13ADAM17MMP2
SCHEMBL25204559 0.73 USP2 (0.45) USP2SMN1; SMN2PKMGPR119RECQL
SCHEMBL4692388 0.72 USP2 (0.42) USP2SMN1; SMN2MMP13ADAM17GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 US disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 US disclosed
US-20160046579-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2016-02-18 US disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 US disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 US disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 US disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 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 (3 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-20160046579-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 USP2 4223/4885SMN1; SMN2 1969/4885MMP13 2370/4885
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 USP2 4238/4885SMN1; SMN2 1852/4885MMP13 2911/4885
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 USP2 4238/4885SMN1; SMN2 1852/4885MMP13 2911/4885

“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.