SCHEMBL15680602

SCHEMBL15680602

O=c1c2cc(O)c(O)cc2sn1CCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
CASP3 P42574 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL11269992 0.82 SIGMAR1 (0.41) TMEM97SIGMAR1
SCHEMBL11278589 0.82 HRH3 (0.37) TMEM97HRH3
Hydrochloric Acid SCHEMBL11281719 0.81 SIGMAR1 (0.40) TMEM97SIGMAR1
SCHEMBL11407006 0.76 CASP3 (0.59) KAT2AKAT2BCASP3
SCHEMBL11348382 0.75 CASP3 (0.57) KAT2AKAT2BCASP3
Hydrochloric Acid SCHEMBL11272284 0.73 CASP3 (0.56) KAT2AKAT2BCASP3
SCHEMBL15680600 0.73 DTYMK (0.39)
SCHEMBL9829900 0.67 FAAH (0.59) KAT2AKAT2BCASP3
SCHEMBL19426150 0.66 TNF (0.53)
SCHEMBL11268310 0.65 DRD2 (0.38) CASP3

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
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-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
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 WO 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 ESR1 2529/4885ESR2 1265/4885KAT2A 747/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 ESR1 2241/4885ESR2 2096/4885KAT2A 288/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL ESR1 2529/4885ESR2 1265/4885KAT2A 747/4885

“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.