SCHEMBL2014781

SCHEMBL2014781

CC(C)(C)OC(=O)NCC(=O)c1ccc(OCC(=O)OC2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.45
YAP1 P46937 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN2B Q13224 1/20 0.41
PRMT5 O14744 3/20 0.40
GPR119 Q8TDV5 1/20 0.40
STS P08842 1/20 0.40
FAAH O00519 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 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
SCHEMBL2013045 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2006749 0.82 SMN1; SMN2 (0.51) HTTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL25213597 0.81 HTT (0.54) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL25212785 0.77 HTT (0.52) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL25247030 0.77 HTT (0.52) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2009888 0.77 HDAC1 (0.55) HTTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL30119946 0.76 HTT (0.51) HTTALDH1A1YAP1SMN1; SMN2RAB9A
SCHEMBL4273933 0.76 HTT (0.53) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL23673639 0.75 HTT (0.53) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL19716850 0.75 KMT2A (0.58) HTTALDH1A1SMN1; SMN2RAB9ANPC1

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 HTT 1966/4885ALDH1A1 2548/4885YAP1 4433/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 HTT 1966/4885ALDH1A1 2548/4885YAP1 4433/4885

“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.