SCHEMBL17181555

SCHEMBL17181555

COc1ccc(COc2cc3ncn(CC45CCN(CC4)CC5)c(=O)c3c(Cl)c2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.39
CSF1R P07333 1/20 0.38
CYP11B2 P19099 1/20 0.36
MMP13 P45452 3/20 0.36
KIT P10721 1/20 0.36
PLK1 P53350 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 2/20 0.34
USP7 Q93009 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PREP P48147 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL17181429 0.95 TNF (0.38) TNFCSF1RCYP11B2MMP13KIT
SCHEMBL15680553 0.83 HDAC6 (0.45) CSF1RMMP13KITNPC1RAB9A
SCHEMBL17181483 0.82 TNF (0.47) TNFCSF1RMMP13PLK1NPC1
SCHEMBL17192040 0.82 KDM4E (0.46) TNFCSF1RKMT2AKDM4EPREP
SCHEMBL17181536 0.82 TNF (0.51) TNFCSF1RMMP13PLK1NPC1
SCHEMBL15671101 0.81 TNF (0.47) TNFCSF1RKMT2AKDM4EPREP
SCHEMBL15680337 0.81 NPBWR1 (0.39) KITKDM4ELMNAPOLBCYP1A2
SCHEMBL15670882 0.80 SYK (0.42) TNFCSF1RPLK1NPC1RAB9A
SCHEMBL17181446 0.79 KDM4E (0.43) KMT2AKDM4ELMNACYP3A4CYP2C9
SCHEMBL17192002 0.78 KIT (0.35) MMP13KITKMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 US disclosed
US-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL TNF 2990/4885CSF1R 2327/4885CYP11B2 4016/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 TNF 1673/4885CSF1R 1061/4885CYP11B2 2853/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL TNF 2990/4885CSF1R 2327/4885CYP11B2 4016/4885

“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.