SCHEMBL17192069

SCHEMBL17192069

CC(C)c1c2c(O)c(O)ccc2cc[n+]1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.35
RNASEH1 O60930 1/20 0.35
PTPN11 Q06124 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
SCHEMBL19426002 0.81 CDK2 (0.36) CDK2RNASEH1PTPN11
SCHEMBL17192085 0.78 RNASEH1 (0.33) RNASEH1
SCHEMBL17192059 0.75 CDC42 (0.36) RNASEH1
SCHEMBL17192067 0.71 CDC42 (0.33)
SCHEMBL19420582 0.70 GABRA1 (0.34) RNASEH1
SCHEMBL19426153 0.66 PTPN22 (0.38) CDK2RNASEH1
SCHEMBL15631181 0.65 ALDH1A1 (0.36)
SCHEMBL15632234 0.65 CDK2 (0.39) CDK2RNASEH1PTPN11
SCHEMBL19420607 0.63 GABRA1 (0.34) RNASEH1
SCHEMBL17192062 0.63 GABRA1 (0.38) CDK2RNASEH1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL CDK2 528/4885RNASEH1 3539/4885PTPN11 3069/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 CDK2 2785/4885RNASEH1 3773/4885PTPN11 2078/4885

“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.