SCHEMBL2012740

SCHEMBL2012740

CCOC(=O)COc1c(SCC)cc(C(=O)CN)cc1SCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ESR1 P03372 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ABCB1 P08183 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TSHR P16473 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
SCHEMBL2009819 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL2011843 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2ACYP1A2CYP2C19
SCHEMBL2009094 0.84 ESR1 (0.42) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL2013243 0.78 NPC1 (0.40) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL2010751 0.72 GAA (0.59) ALDH1A1KDM4EHPGDGAANPSR1
SCHEMBL2012694 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL2008557 0.71 KMT2A (0.51) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL2009817 0.71 ESR1 (0.42) ALDH1A1KDM4EMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL11660184 0.71 GAA (0.57) ALDH1A1KDM4EHPGDGAANPSR1
SCHEMBL2010341 0.69 HMGCR (0.53) ALDH1A1MEN1KMT2AHPGDGAA

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 ALDH1A1 2548/4885KDM4E 4730/4885MEN1 4472/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ALDH1A1 2548/4885KDM4E 4730/4885MEN1 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.