SCHEMBL16049692

SCHEMBL16049692

COC(=O)OC1(C#CC=O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
ATM Q13315 1/20 0.36
EPHX2 P34913 1/20 0.36
EPHX1 P07099 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MMP2 P08253 2/20 0.34
MMP13 P45452 2/20 0.34
ADAM17 P78536 2/20 0.34
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
MMP14 P50281 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 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 0.82 MMP13 (0.44) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL16049584 0.82 TSHR (0.39) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL16049580 0.76 USP2 (0.39) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL28653404 0.72 USP2 (0.45) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL26666950 0.70 USP2 (0.46) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL12821836 0.69 USP2 (0.45) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL23863955 0.69 USP2 (0.51) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL6887693 0.68 USP2 (0.47) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL27742523 0.68 USP2 (0.44) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL9963090 0.68 USP2 (0.41) USP2SMN1; SMN2TSHRALOX15ATM

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
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
EP-2970189-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Agios Pharmaceuticals, Inc. (US) 2016-01-20 EP 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-2014139325-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
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
WO-2014139325-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 (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-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 USP2 4238/4885SMN1; SMN2 1852/4885TSHR 3332/4885
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 USP2 4238/4885SMN1; SMN2 1852/4885TSHR 3332/4885

“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.