SCHEMBL5500029

SCHEMBL5500029

CC(C)(C)OC(=O)NCC(=O)Nc1cnn2c1NCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
SPR P35270 1/20 0.34
AURKB Q96GD4 3/20 0.34
EGFR P00533 2/20 0.34
RAF1 P04049 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
DRD2 P14416 1/20 0.33
RORC P51449 1/20 0.33
ROCK2 O75116 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
MEN1 O00255 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
SCHEMBL5500895 0.94 NPFFR1 (0.38) NPFFR1NPFFR2CKS1BSKP1SKP2
SCHEMBL5497748 0.90 KDM4E (0.37) SIGMAR1SUV39H2ALDH1A1TSHR
SCHEMBL5496128 0.86 EPHX1 (0.40) CKS1BSKP1SKP2DRD2ALDH1A1
SCHEMBL5497846 0.83 KDM4E (0.38) SIGMAR1DRD2SUV39H2ALDH1A1
SCHEMBL5499516 0.78 CCNT1 (0.31) CCNT1CDK9
SCHEMBL5499497 0.78 CCNT1 (0.31) CCNT1CDK9
SCHEMBL4207415 0.74 MEN1 (0.37) DRD2MEN1ALDH1A1TSHRKMT2A
SCHEMBL3111541 0.74 CCNT1 (0.37) KDRCCNT1CDK9
SCHEMBL5493411 0.72 RAB9A (0.31) MEN1KMT2A
SCHEMBL5500017 0.71 TLR7 (0.36) NPFFR1NPFFR2AURKBEGFRRAF1

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-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 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 (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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 NPFFR1 2213/4885NPFFR2 2367/4885CKS1B 2311/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 NPFFR1 3219/4885NPFFR2 3252/4885CKS1B 2415/4885

“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.