SCHEMBL2008979

SCHEMBL2008979

NCC(=O)c1ccc(OCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
PARP10 Q53GL7 1/20 0.52
PLA2G4B P0C869 1/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAOB P27338 1/20 0.49
EGFR P00533 2/20 0.48

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
SCHEMBL2006466 0.86 MAPK1 (0.56) MAPK1RAB9ASMN1; SMN2NPC1PARP10
SCHEMBL2013554 0.85 PARP10 (0.71) RAB9ASMN1; SMN2PARP10PLA2G4BMAPT
Hydrochloric Acid SCHEMBL4199637 0.84 PARP10 (0.69) RAB9ASMN1; SMN2PARP10PLA2G4BMAPT
SCHEMBL8681578 0.83 ALDH1A1 (0.61) MAPK1RAB9ASMN1; SMN2NPC1PLA2G4B
SCHEMBL9030446 0.83 MRGPRX1 (0.57) PARP10PLA2G4BMAPTTP53NR4A1
SCHEMBL8009012 0.83 RAB9A (0.56) MAPK1RAB9ASMN1; SMN2NPC1PARP10
SCHEMBL8479686 0.82 RAB9A (0.62) MAPK1RAB9ASMN1; SMN2NPC1PARP10
SCHEMBL8011529 0.82 LMNA (0.62) MAPK1RAB9ASMN1; SMN2NPC1PLA2G4B
SCHEMBL8013977 0.82 ALOX15 (0.61) MAPK1RAB9ASMN1; SMN2NPC1PLA2G4B
Hydrochloric Acid SCHEMBL27505257 0.82 ALDH1A1 (0.59) MAPK1RAB9ASMN1; SMN2NPC1PLA2G4B

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 MAPK1 3196/4885RAB9A 2816/4885SMN1; SMN2 4690/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 MAPK1 3196/4885RAB9A 2816/4885SMN1; SMN2 4690/4885

“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.