SCHEMBL2280965

SCHEMBL2280965

CCOC(=O)Cc1ccc(OC)c(Cc2ccc(NC(=O)C(C)(C)C)cc2CSC(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GNRHR P30968 1/20 0.37
TLR7 Q9NYK1 3/20 0.36
ALDH1A1 P00352 2/20 0.36
DRD2 P14416 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL2285249 0.89 CYP3A4 (0.75) CYP3A4L3MBTL1LMNAGNRHRALDH1A1
SCHEMBL12515758 0.88 CYP3A4 (0.65) CYP3A4L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL12515776 0.88 CYP3A4 (0.60) CYP3A4LMNASMN1; SMN2GNRHRALDH1A1
SCHEMBL349965 0.86 CYP3A4 (0.80) CYP3A4L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL12515775 0.85 CYP3A4 (0.59) CYP3A4LMNASMN1; SMN2GNRHRALDH1A1
SCHEMBL2280514 0.84 TLR7 (0.41) CYP3A4MAPTTLR7DRD2GAA
SCHEMBL2277912 0.82 ALDH1A1 (0.43) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL349715 0.80 CYP3A4 (0.65) CYP3A4L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL14733237 0.80 CYP3A4 (0.77) CYP3A4L3MBTL1LMNASMN1; SMN2GNRHR
SCHEMBL2361747 0.79 CYP3A4 (0.85) CYP3A4L3MBTL1LMNASMN1; SMN2GNRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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 (1 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885L3MBTL1 4395/4885MAPT 4843/4885

“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.