SCHEMBL2994446

SCHEMBL2994446

CCCC(c1ccc(N)cc1)S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
CA1 P00915 9/20 0.40
CA2 P00918 9/20 0.40
CA12 O43570 6/20 0.40
CA9 Q16790 5/20 0.40
CA14 Q9ULX7 5/20 0.38
CA7 P43166 3/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 2/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGO2 Q9UKV8 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
GRIA4 P48058 1/20 0.37
SLC6A3 Q01959 1/20 0.36
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL11288543 0.87 GAA (0.42) GAACA1CA2CA12CA9
SCHEMBL3472313 0.83 AOC3 (0.43) CA1CA2CA12CA9CA7
SCHEMBL2990881 0.80 CA1 (0.42) CA1CA2CA12CA9CA14
SCHEMBL2999738 0.78 CA1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL5781214 0.73 GAA (0.44) GAACA1CA2CA12CA9
SCHEMBL564038 0.73 POLB (0.43) CA1CA2CA9CA7CA4
SCHEMBL11331302 0.71 GAA (0.47) GAACA1CA2CA12CA9
SCHEMBL1837362 0.71 TP53 (0.42) CA2TDP1
SCHEMBL6130573 0.71 CNR1 (0.42) GAATSHRTDP1SLC6A3RECQL
SCHEMBL8095083 0.71 CNR1 (0.42) GAATSHRTDP1SLC6A3RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137164-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-08-26 EP disclosed
US-8389521-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-03-05 US disclosed
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-22 US disclosed
EP-2137164-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy ASTRAZENECA AB (SE) 2008-11-06 US disclosed
WO-2008129069-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 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 (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-20100184780-A1 INHIBITORS OF PROTEIN KINASES CDK5, CDK5R1, CDK1 GAA 2845/4885CA1 4746/4885CA2 3964/4885
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy CDK5, CDK5R1, CDK4 GAA 3221/4885CA1 4103/4885CA2 3085/4885

“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.