SCHEMBL349984

SCHEMBL349984

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(C(=O)N(CC)c3ccc(F)cc3)cc2CSC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
ADAMTS4 O75173 1/20 0.36
TSHR P16473 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 2/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL348300 0.91 CYP3A4 (0.42) ADAMTS4TSHRPTGDR2CYP3A4ALDH1A1
SCHEMBL348158 0.83 PPARG (0.42) TSHRPTGDR2CYP3A4ABL1RIN1
SCHEMBL349983 0.82 PTGDR2 (0.48) TSHRPTGDR2ADRB2ADRB1ADRB3
SCHEMBL348776 0.82 CYP3A4 (0.41) USP2CYP3A4ABL1RIN1KDM4E
SCHEMBL349491 0.80 PTGDR2 (0.42) PTGDR2CYP3A4KMT2AALDH1A1MEN1
SCHEMBL2276265 0.80 ACHE (0.42) CYP3A4ABL1RIN1ATMALDH1A1
SCHEMBL350678 0.78 ABL1 (0.45) CYP3A4KMT2AABL1RIN1ATM
SCHEMBL349203 0.78 CYP3A4 (0.40) CYP3A4KMT2AABL1RIN1ATM
SCHEMBL349209 0.76 PTGDR2 (0.48) PTGDR2KMT2AALDH1A1GAAMEN1
SCHEMBL350012 0.75 HTT (0.44) CYP3A4KMT2AALDH1A1MEN1

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 8 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-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

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 USP2 2433/4885ADAMTS4 2772/4885TSHR 426/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 USP2 2433/4885ADAMTS4 2772/4885TSHR 426/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 USP2 2433/4885ADAMTS4 2772/4885TSHR 426/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 USP2 2286/4885ADAMTS4 2804/4885TSHR 555/4885

“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.