SCHEMBL347678

SCHEMBL347678

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)c3cccnc3)cc2CSCC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PKM P14618 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL347046 0.91 CYP3A4 (0.53) CYP3A4MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL348373 0.91 CYP3A4 (0.46) CYP3A4MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12375539 0.89 CYP3A4 (0.45) CYP3A4MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL349972 0.87 POLB (0.46) CYP3A4MAPTSMN1; SMN2HTTRAB9A
SCHEMBL350117 0.87 MAPT (0.47) CYP3A4MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL347633 0.86 CYP3A4 (0.46) CYP3A4MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13521864 0.86 MAPT (0.48) MAPK1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL348678 0.84 CYP3A4 (0.49) CYP3A4MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL347667 0.84 CYP3A4 (0.62) CYP3A4MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL350097 0.82 CYP3A4 (0.49) CYP3A4SMN1; SMN2ALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 US disclosed
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-01-19 US disclosed
US-8071807-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-12-06 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
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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 (4 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-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MAPK1 2734/4885MAPT 4847/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MAPK1 2734/4885MAPT 4847/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MAPK1 2734/4885MAPT 4847/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885MAPK1 2947/4885MAPT 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.