SCHEMBL7220903

SCHEMBL7220903

CC(O)c1cc2c(c(C(N)=O)c1)OCCCS2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL7216572 0.90 PARP1 (0.39) PARP1POLBL3MBTL1
SCHEMBL7215155 0.79 PARP1 (0.38) PARP1
SCHEMBL7214410 0.72 PARP1 (0.54) PARP1
SCHEMBL27772941 0.59 POLB (0.35) PARP1POLBL3MBTL1ADRB2ADRB1
SCHEMBL13254982 0.59 SIRT3 (0.42) POLBL3MBTL1ADRB2ADRB1ADRB3
SCHEMBL13254974 0.59 SIRT3 (0.42) POLBL3MBTL1ADRB2ADRB1ADRB3
SCHEMBL18964182 0.59 KDM4E (0.50) POLBADRB2ADRB1ADRB3ADRA1D
SCHEMBL13254984 0.59 SIRT3 (0.42) POLBL3MBTL1ADRB2ADRB1ADRB3
SCHEMBL28813806 0.58 L3MBTL1 (0.37) PARP1POLBL3MBTL1ADRB2ADRB1
SCHEMBL6369200 0.58 PARP1 (0.44) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576766-B1 Competitive binding of phosphotyrosine-containing protein; veterinary medicine ARIAD PHARMACEUTICALS, INC. 2003-06-10 US disclosed
US-6573295-B2 Treating proliferative diseases, cancer, restenosis, osteoporosis, inflammation, aIlergies, or cardiovascular disease. ARIAD PHARMACEUTICALS, INC. 2003-06-03 US disclosed
US-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling ARIAD PHARMACEUTICALS, INC. 2002-09-26 US disclosed
US-20020062031-A1 Bicyclic signal transduction inhibitors, compositions containing them & uses thereof SHAKESPEARE WILLIAM C (US) 2002-05-23 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 (2 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-20020062031-A1 Bicyclic signal transduction inhibitors, compositions containing them & uses thereof ACP1, SRC, PPM1G PARP1 2454/4885POLB 4412/4885L3MBTL1 3244/4885
US-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling GRB2, LCK, PTK2 PARP1 3059/4885POLB 4445/4885L3MBTL1 3137/4885

“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.