SCHEMBL2999739

SCHEMBL2999739

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
RORC P51449 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CRHBP P24387 1/20 0.46
ATM Q13315 1/20 0.46
CRHR2 Q13324 1/20 0.46
TLR9 Q9NR96 1/20 0.46
CA9 Q16790 4/20 0.46
CA12 O43570 3/20 0.43
CYP19A1 P11511 1/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42

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
SCHEMBL21932234 0.86 MAPT (0.45) MAPTRORCALDH1A1MEN1KMT2A
SCHEMBL3146623 0.86 MAPT (0.49) MAPTRORCALDH1A1MEN1KMT2A
SCHEMBL5625920 0.86 MAPT (0.45) MAPTRORCALDH1A1MEN1KMT2A
SCHEMBL21932305 0.83 CA9 (0.45) MAPTRORCALDH1A1MEN1KMT2A
SCHEMBL3143812 0.83 MAPT (0.47) MAPTRORCALDH1A1MEN1KMT2A
SCHEMBL3159673 0.83 MAPT (0.50) MAPTRORCALDH1A1MEN1KMT2A
SCHEMBL2997455 0.82 KMT2A (0.56) MAPTALDH1A1MEN1KMT2ACA9
SCHEMBL4238752 0.79 ALDH1A1 (0.46) MAPTRORCALDH1A1MEN1KMT2A
SCHEMBL6327352 0.78 CA9 (0.44) MAPTRORCALDH1A1MEN1KMT2A
SCHEMBL3157245 0.78 ALDH1A1 (0.61) MAPTRORCALDH1A1MEN1KMT2A

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 MAPT 215/4885RORC 1402/4885ALDH1A1 3008/4885
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 MAPT 67/4885RORC 802/4885ALDH1A1 2993/4885

“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.