SCHEMBL3272065

SCHEMBL3272065

COC(=O)N1CC(O)CC1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.44
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 2/20 0.38
ANPEP P15144 2/20 0.38
MME P08473 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL30206032 1.00 ATM (0.65) ATMTSHRALDH1A1APOBEC3AAPOBEC3G
SCHEMBL12368660 1.00 ATM (0.65) ATMTSHRALDH1A1APOBEC3AAPOBEC3G
SCHEMBL15138186 1.00 ATM (0.65) ATMTSHRALDH1A1APOBEC3AAPOBEC3G
SCHEMBL31707416 1.00 ATM (0.65) ATMTSHRALDH1A1APOBEC3AAPOBEC3G
SCHEMBL31759050 1.00 ATM (0.65) ATMTSHRALDH1A1APOBEC3AAPOBEC3G
SCHEMBL8401652 0.85 ALDH1A1 (0.59) ATMTSHRALDH1A1APOBEC3AAPOBEC3G
SCHEMBL8401942 0.85 ALDH1A1 (0.59) ATMTSHRALDH1A1APOBEC3AAPOBEC3G
SCHEMBL3272061 0.85 ALDH1A1 (0.59) ATMTSHRALDH1A1APOBEC3AAPOBEC3G
SCHEMBL8401692 0.85 ALDH1A1 (0.59) ATMTSHRALDH1A1APOBEC3AAPOBEC3G
SCHEMBL8401694 0.85 ALDH1A1 (0.59) ATMTSHRALDH1A1APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804850-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-08-29 EP disclosed
US-20160304556-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-10-20 US disclosed
US-20150087600-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2015-03-26 US disclosed
EP-2804850-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2014-11-26 EP disclosed
WO-2013107405-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2013-07-25 WO disclosed
WO-2010049678-A2 TREATMENT OF ENERGY UTILIZATION DISEASES SUMMIT CORPORATION PLC (GB) 2010-05-06 WO disclosed
WO-2010029313-A1 ANTIINFECTIVE COMPOUNDS SUMMIT CORPORATION PLC. (GB) 2010-03-18 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-20160304556-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A ATM 417/4885TSHR 4517/4885ALDH1A1 413/4885
US-20150087600-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A ATM 417/4885TSHR 4517/4885ALDH1A1 413/4885

“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.