SCHEMBL2995730

SCHEMBL2995730

CC(C)N(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA9 Q16790 6/20 0.46
CA12 O43570 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA3 P07451 3/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA13 Q8N1Q1 3/20 0.46
CA5B Q9Y2D0 3/20 0.46

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
SCHEMBL4424908 0.80 LMNA (0.48) L3MBTL1MAPTTSHRMAPK1TDP1
SCHEMBL4245109 0.79 CA1 (0.50) L3MBTL1MAPTCYP1A2CYP3A4TSHR
SCHEMBL1917327 0.78 MEN1 (0.53) L3MBTL1MAPTCYP1A2CYP3A4TSHR
SCHEMBL26042917 0.77 MAPT (0.59) L3MBTL1MAPTCYP1A2CYP3A4TSHR
SCHEMBL7608335 0.77 MAPT (0.55) L3MBTL1MAPTCYP1A2CYP3A4TSHR
SCHEMBL21596178 0.76 CA1 (0.50) L3MBTL1MAPTCYP1A2CYP3A4TSHR
SCHEMBL7191334 0.74 HTR2C (0.47) MAPTCYP3A4TDP1CA1CA2
SCHEMBL8224812 0.73 HSD11B1 (0.40) L3MBTL1CA1CA2KMT2AHSD11B1
SCHEMBL6325501 0.73 HSD11B1 (0.47) MAPTMAPK1TDP1CA1CA2
SCHEMBL7191332 0.73 HSD11B1 (0.48) L3MBTL1MAPTCYP1A2CYP3A4TSHR

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 L3MBTL1 2564/4885MAPT 215/4885CYP1A2 4190/4885
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 L3MBTL1 768/4885MAPT 67/4885CYP1A2 4545/4885

“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.