SCHEMBL3218529

SCHEMBL3218529

O=C(O)N1CC[C@H](CNC(=O)C(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SSTR4 P31391 2/20 0.38
KCNH2 Q12809 7/20 0.37
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP30 Q70CQ3 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3324608 1.00 CKS1B (0.43) CKS1BSKP1SKP2EPHX1EPHX2
SCHEMBL11909488 1.00 CKS1B (0.43) CKS1BSKP1SKP2EPHX1EPHX2
SCHEMBL13549321 0.81 EPHX1 (0.59) CKS1BSKP1SKP2EPHX1EPHX2
SCHEMBL3104385 0.80 KDM4E (0.52) EPHX1SSTR4KDM4EPKMALDH1A1
SCHEMBL12046261 0.80 KDM4E (0.52) EPHX1SSTR4KDM4EPKMALDH1A1
SCHEMBL3089931 0.80 KDM4E (0.52) EPHX1SSTR4KDM4EPKMALDH1A1
SCHEMBL30120837 0.78 DRD2 (0.44) EPHX1EPHX2KCNH2KDM4EPKM
SCHEMBL23581899 0.77 ALDH1A1 (0.39) EPHX1EPHX2ALDH1A1POLBSMN1; SMN2
SCHEMBL13752398 0.76 DPP8 (0.41) CKS1BSKP1SKP2EPHX1EPHX2
SCHEMBL9431190 0.75 TDP1 (0.52) CKS1BSKP1SKP2EPHX1ALDH1A1

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-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US 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 (3 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-20080221110-A1 Compounds NRDC, NISCH, MRPL21 CKS1B 2649/4885SKP1 4240/4885SKP2 2806/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB CKS1B 1345/4885SKP1 1252/4885SKP2 1219/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 CKS1B 2654/4885SKP1 4016/4885SKP2 2366/4885

“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.