SCHEMBL17181501

SCHEMBL17181501

COc1ccc(COc2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.59
HSD17B10 Q99714 3/20 0.59
MAPK1 P28482 1/20 0.59
CASP1 P29466 2/20 0.57
CASP7 P55210 2/20 0.57
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
CSF1R P07333 3/20 0.41
KIT P10721 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40

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
SCHEMBL25260320 0.88 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL6433972 0.88 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL3059418 0.81 ALDH1A1 (0.72) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL1890489 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL12663537 0.80 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL374339 0.80 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL5649656 0.79 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL6431150 0.77 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL20032548 0.75 ALDH1A1 (0.64) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL12003807 0.75 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPK1CYP1A2CYP3A4

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-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 ALDH1A1 1437/4885HSD17B10 716/4885MAPK1 4620/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 ALDH1A1 3320/4885HSD17B10 1796/4885MAPK1 3118/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL ALDH1A1 1437/4885HSD17B10 716/4885MAPK1 4620/4885

“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.