SCHEMBL17181536

SCHEMBL17181536

COc1ccc(COc2cc3ncn(CCCCl)c(=O)c3c(Cl)c2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 5/20 0.51
CSF1R P07333 1/20 0.42
PLK1 P53350 2/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPBWR1 P48145 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
P2RX3 P56373 1/20 0.36
RAB9A P51151 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
SCHEMBL17181483 0.95 TNF (0.47) TNFCSF1RPLK1NPC1MMP13
SCHEMBL15671101 0.89 TNF (0.47) TNFCSF1RALDH1A1KDM4EGAA
SCHEMBL17192040 0.87 KDM4E (0.46) TNFCSF1RALDH1A1KDM4EGAA
SCHEMBL15670882 0.87 SYK (0.42) TNFCSF1RPLK1ALDH1A1NPC1
SCHEMBL15680502 0.82 CSF1R (0.40) TNFCSF1RPLK1ALDH1A1NPC1
SCHEMBL17181555 0.82 TNF (0.39) TNFCSF1RPLK1NPC1MMP13
SCHEMBL15670874 0.81 TNF (0.72) TNFALDH1A1MAPTHTR1ADRD2
SCHEMBL17181429 0.80 TNF (0.38) TNFCSF1RPLK1ALDH1A1NPC1
SCHEMBL15671003 0.77 HDAC6 (0.52) TNFCSF1RNPC1MMP13P2RX3
SCHEMBL15671045 0.75 TNF (0.67) TNFALDH1A1MAPT

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 2327/4885PLK1 2169/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 TNF 1673/4885CSF1R 1061/4885PLK1 3051/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL TNF 2990/4885CSF1R 2327/4885PLK1 2169/4885

“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.