SCHEMBL2999738

SCHEMBL2999738

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.47
CA2 P00918 8/20 0.47
CA9 Q16790 7/20 0.47
CA12 O43570 5/20 0.47
CA14 Q9ULX7 5/20 0.47
CA5A P35218 3/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.41
ASAH2 Q9NR71 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2997453 0.82 CA2 (0.48) CA2CA5AKMT2AALDH1A1MAPT
SCHEMBL2994446 0.78 GAA (0.41) CA1CA2CA9CA12CA14
SCHEMBL3472313 0.76 AOC3 (0.43) CA1CA2CA9CA12CA5A
SCHEMBL4787856 0.76 CNR1 (0.50) KMT2AALDH1A1MAPTCYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL4821086 0.76 ALDH1A1 (0.45) KMT2AALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL27595672 0.76 KMT2A (0.47) CA1CA2CA9CA12CA14
SCHEMBL19788211 0.75 KCNJ1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL31327276 0.75 CA1 (0.55) CA1CA2CA9CA12CA14
SCHEMBL20921368 0.73 ALDH1A1 (0.46) CA1CA2KMT2AALDH1A1MAPT
SCHEMBL4867981 0.73 ALDH1A1 (0.64) KMT2AALDH1A1MAPTCYP1A2CYP3A4

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 CA1 4746/4885CA2 3964/4885CA9 4833/4885
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 CA1 4103/4885CA2 3085/4885CA9 4031/4885

“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.