SCHEMBL317728

SCHEMBL317728

Cc1cc(C#N)cc(C(=O)NC2CCS(=O)(=O)C2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
DGAT2 Q96PD7 11/20 0.34
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TNF P01375 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NTRK1 P04629 1/20 0.32
SLC2A1 P11166 1/20 0.32
SLC2A2 P11168 1/20 0.32
SLC2A3 P11169 1/20 0.32
SLC2A4 P14672 1/20 0.32
LMNA P02545 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL10089479 0.95 ELANE (0.35) ELANEDGAT2GLASMN1; SMN2TNF
SCHEMBL317729 0.94 ELANE (0.33) ELANESLC2A1SLC2A2SLC2A3SLC2A4
SCHEMBL10089862 0.93 DGAT2 (0.36) ELANEDGAT2GLASMN1; SMN2NTRK1
SCHEMBL10075531 0.93 CRHR1 (0.37) IRAK4NTRK1SLC2A1SLC2A2SLC2A3
SCHEMBL10089983 0.92 ELANE (0.39) ELANEDGAT2GLASMN1; SMN2TNF
SCHEMBL15905591 0.92 ELANE (0.38) ELANEDGAT2GLASMN1; SMN2TNF
SCHEMBL10089976 0.92 OPRL1 (0.37) SLC2A1SLC2A2SLC2A3SLC2A4CRHR1
SCHEMBL13084937 0.92 OPRL1 (0.35) NTRK1SLC2A1SLC2A2SLC2A3SLC2A4
SCHEMBL13085443 0.91 OPRL1 (0.36) SLC2A1SLC2A2SLC2A3SLC2A4CRHR1
SCHEMBL10089851 0.90 RORC (0.38) ELANENTRK1SLC2A1SLC2A2SLC2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582695-B1 ANTHRANILIC ACID DIAMIDE DERIVATIVES WITH CYCLICAL SIDE CHAINS BAYER IP GMBH (DE) 2015-09-30 EP disclosed
US-8791143-B2 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
US-8791143-B2 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
US-8791143-B2 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
EP-2582695-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES WITH CYCLICAL SIDE CHAINS Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
US-20120010249-A1 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2012-01-12 US disclosed
US-20120010249-A1 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2012-01-12 US disclosed
US-20120010249-A1 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2012-01-12 US disclosed
WO-2011157651-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES WITH CYCLICAL SIDE CHAINS BAYER CROPSCIENCE AG (DE) 2011-12-22 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 (1 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-20120010249-A1 Anthranilic diamide derivatives having cyclic side-chains DDT, ADCY1, ANTXR2 ELANE 3872/4885DGAT2 2025/4885GLA 1191/4885

“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.