SCHEMBL1198071

SCHEMBL1198071

CCOC(=O)c1cc(C)nn1CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 2/20 0.48
TDP1 Q9NUW8 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 2/20 0.40

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
SCHEMBL13170000 0.88 SMN1; SMN2 (0.46) LMNASMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL6188814 0.85 MAPT (0.52) LMNASMN1; SMN2POLBTDP1MAPT
SCHEMBL1198069 0.84 SMN1; SMN2 (0.43) LMNASMN1; SMN2POLBTDP1MAPT
SCHEMBL23612825 0.84 SMN1; SMN2 (0.45) LMNASMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL23138505 0.84 SMN1; SMN2 (0.43) LMNASMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL18718147 0.83 SMN1; SMN2 (0.47) LMNASMN1; SMN2POLBTDP1MAPT
SCHEMBL574357 0.82 GRN (0.46) LMNASMN1; SMN2POLBTDP1MAPT
SCHEMBL14097078 0.82 LMNA (0.68) LMNASMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL1279630 0.81 SMN1; SMN2 (0.42) LMNASMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL18718164 0.81 SMN1; SMN2 (0.49) LMNASMN1; SMN2POLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722662-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130267494-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-10 US disclosed
EP-2625170-A1 1,4-OXAZEPANE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2013-08-14 EP disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20120088748-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US disclosed
WO-2012046882-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 WO disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP disclosed
WO-2000037074-A1 MUTILIN 14-ESTER DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-06-29 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-20130267494-A1 1,4-OXAZEPANE DERIVATIVES MAOB, SLC6A4, SLC6A2 LMNA 4129/4885SMN1; SMN2 1930/4885POLB 3294/4885
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A LMNA 2086/4885SMN1; SMN2 2057/4885POLB 4137/4885
US-20120088748-A1 HETEROCYCLIC COMPOUNDS SLC6A2, MAOB, MAOA LMNA 3367/4885SMN1; SMN2 2152/4885POLB 3079/4885

“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.