SCHEMBL17192036

SCHEMBL17192036

COc1cc2c(c(Cl)c1OC)c(=O)n(CCCl)c(=O)n2C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.38
KDM1A O60341 1/20 0.38
UBE2N P61088 1/20 0.37
TRPC5 Q9UL62 2/20 0.37
TNF P01375 1/20 0.37
CYP19A1 P11511 2/20 0.35
NQO2 P16083 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.34
CCR4 P51679 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL15680551 0.83 S100B (0.35) S100BKDM1AUBE2NTRPC5CYP19A1
SCHEMBL17192035 0.79 MAOB (0.38) UBE2NTRPC5GAAKMT2A
SCHEMBL17181424 0.77 ADRA1B (0.48) S100BGAAADRA1B
SCHEMBL17192034 0.75 L3MBTL1 (0.36) TRPC5KMT2A
SCHEMBL17192037 0.69 KCNH2 (0.44) GAAKMT2A
SCHEMBL15671045 0.68 TNF (0.67) TNFKMT2A
SCHEMBL20768515 0.66 ALDH1A1 (0.41) KDM1ATNFCYP19A1NQO2KMT2A
SCHEMBL15670874 0.65 TNF (0.72) TNF
SCHEMBL10917602 0.63 TRPC5 (0.56) UBE2NTRPC5KMT2A
SCHEMBL26654511 0.63 S100B (0.62) S100BGAACCR4

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 7 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 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
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 S100B 2008/4885KDM1A 2042/4885UBE2N 47/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 S100B 567/4885KDM1A 1766/4885UBE2N 486/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL S100B 2008/4885KDM1A 2042/4885UBE2N 47/4885

“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.