SCHEMBL3940277

SCHEMBL3940277

CON1c2ccccc2Oc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 15/20 0.53
P2RX1 P51575 2/20 0.39
P2RX3 P56373 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMPD1 P17405 1/20 0.37

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
SCHEMBL31148927 0.81 P2RX4 (0.47) P2RX4P2RX1P2RX3MAPTSMN1; SMN2
SCHEMBL1423685 0.81 P2RX4 (0.47) P2RX4P2RX1P2RX3MAPTSMN1; SMN2
SCHEMBL3969789 0.77 P2RX4 (0.44) P2RX4P2RX1P2RX3MAPTSMN1; SMN2
SCHEMBL31067286 0.73 KDM4E (0.55) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL47007 0.73 KDM4E (0.55) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
Methoxymethane SCHEMBL28814461 0.72 AHR (0.46) P2RX4
Hydrogen Sulfide SCHEMBL28845788 0.71 KDM4E (0.53) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL18318143 0.71 L3MBTL1 (0.52) SMPD1
SCHEMBL4453866 0.70 P2RX4 (0.46) P2RX4P2RX1P2RX3MAPTSMN1; SMN2
SCHEMBL10090153 0.70 SMPD1 (0.47) P2RX4SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
EP-2049507-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 P2RX4 4023/4885P2RX1 3012/4885P2RX3 3039/4885

“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.