SCHEMBL2010604

SCHEMBL2010604

CCOC(=O)COC1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SIGMAR1 Q99720 2/20 0.44
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
EPHX1 P07099 1/20 0.37
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
CTSK P43235 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2010392 0.89 ALDH1A1 (0.67) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL21068423 0.82 DRD2 (0.45) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL6319049 0.80 HPGD (0.46) ITGB3ITGA2BEPHX1
SCHEMBL2008270 0.77 ITGB3 (0.47) TSHRALDH1A1ITGB3ITGA2BLMNA
SCHEMBL28329410 0.77 SIGMAR1 (0.51) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL13861254 0.75 SIGMAR1 (0.56) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL1975644 0.75 PRMT5 (0.44) TSHRALDH1A1MEN1KMT2AITGB3
SCHEMBL1967730 0.75 PRMT5 (0.44) TSHRALDH1A1MEN1KMT2AITGB3
SCHEMBL1980890 0.75 PRMT5 (0.44) TSHRALDH1A1MEN1KMT2AITGB3
SCHEMBL25123129 0.74 BTK (0.43) TSHRALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 TSHR 163/4885ALDH1A1 2548/4885MEN1 4472/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 TSHR 163/4885ALDH1A1 2548/4885MEN1 4472/4885

“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.