SCHEMBL350117

SCHEMBL350117

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2CSCC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 2/20 0.46
MCHR1 Q99705 1/20 0.40
PPARA Q07869 4/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TDO2 P48775 1/20 0.39
KDR P35968 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
PPARD Q03181 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL347633 0.93 CYP3A4 (0.46) MAPTSMN1; SMN2LMNACYP3A4MEN1
SCHEMBL348373 0.93 CYP3A4 (0.46) MAPTSMN1; SMN2LMNACYP3A4MEN1
SCHEMBL349972 0.92 POLB (0.46) MAPTSMN1; SMN2LMNACYP3A4MEN1
SCHEMBL350116 0.90 CYP3A4 (0.57) MAPTSMN1; SMN2CYP3A4MCHR1PPARA
SCHEMBL12375539 0.89 CYP3A4 (0.45) MAPTSMN1; SMN2LMNACYP3A4MEN1
SCHEMBL2275749 0.88 PTGDR2 (0.41) CYP3A4PPARAPPARD
SCHEMBL13521861 0.88 MAPT (0.50) MAPTSMN1; SMN2LMNACYP3A4MCHR1
SCHEMBL347678 0.87 CYP3A4 (0.43) MAPTSMN1; SMN2LMNACYP3A4ALDH1A1
SCHEMBL347667 0.87 CYP3A4 (0.62) MAPTSMN1; SMN2LMNACYP3A4MEN1
SCHEMBL348678 0.87 CYP3A4 (0.49) MAPTSMN1; SMN2LMNACYP3A4MEN1

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 11 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
EP-2307362-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-04-13 EP disclosed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
WO-2010003120-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO 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 MAPT 4847/4885SMN1; SMN2 4300/4885LMNA 2277/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MAPT 4847/4885SMN1; SMN2 4300/4885LMNA 2277/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 MAPT 4847/4885SMN1; SMN2 4300/4885LMNA 2277/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 MAPT 4843/4885SMN1; SMN2 4612/4885LMNA 2161/4885

“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.