SCHEMBL451920

SCHEMBL451920

Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(NCc3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
VCP P55072 6/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CTRC Q99895 1/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL453455 0.85 CTRC (0.57) PTGS2VCPALDH1A1CYP1A2CYP2D6
SCHEMBL441290 0.82 PIK3CA (0.59) PTGS2PIK3CAPIK3CBVCPALDH1A1
SCHEMBL5854215 0.80 PTGS2 (0.50) PTGS2PIK3CAPIK3CBALDH1A1CYP1A2
SCHEMBL15436232 0.76 NOS2 (0.43) PTGS2ALDH1A1CYP1A2CYP2D6HSD17B10
SCHEMBL453058 0.74 MEN1 (0.47) ALDH1A1CTRCKDM4EMEN1MAPT
SCHEMBL3710406 0.71 PIK3CA (0.46) PIK3CAPIK3CBVCPALDH1A1CYP1A2
SCHEMBL15436231 0.70 ACHE (0.42) ALDH1A1CYP1A2CYP2D6ACHEKDM4E
SCHEMBL13641732 0.70 MEN1 (0.52) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL1711035 0.70 CA1 (0.73) ALDH1A1CYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL3711270 0.69 PIK3CA (0.61) PTGS2PIK3CAPIK3CBALDH1A1CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 PTGS2 450/4885PIK3CA 1435/4885PIK3CB 1796/4885

“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.