SCHEMBL15680342

SCHEMBL15680342

COc1cc(Br)c(C(=O)N(C)OC)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
NSD2 O96028 1/20 0.43
CASP3 P42574 1/20 0.43
PPP1CA P62136 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
LPAR5 Q9H1C0 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
PRKDC P78527 1/20 0.41
TNFRSF1A P19438 1/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
PAX8 Q06710 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
SCHEMBL8572424 0.84 CYP3A4 (0.53) LCKFYNLPAR5HTTCYP3A4
SCHEMBL24163451 0.80 LCK (0.57) LCKFYNAPAF1TDP2NSD2
SCHEMBL2336464 0.78 LCK (0.59) LCKFYNAPAF1TDP2NSD2
SCHEMBL27785704 0.77 LCK (0.74) LCKFYNAPAF1TDP2NSD2
SCHEMBL9278526 0.77 CLK1 (0.51) CASP3SENP8SENP7SENP6HTT
SCHEMBL616327 0.77 MEN1 (0.35) LCKFYNLPAR5CYP3A4TSHR
SCHEMBL6270450 0.77 ALDH1A1 (0.50) HTTCYP3A4HSD17B10ALDH1A1KDM4E
SCHEMBL17319164 0.77 KMT2A (0.44) LPAR5HSD17B10ALDH1A1KDM4ECLK1
SCHEMBL30480696 0.77 MEN1 (0.35) LCKFYNLPAR5CYP3A4TSHR
SCHEMBL7112806 0.76 LCK (0.71) LCKFYNAPAF1TDP2NSD2

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-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-20150344502-A1 CEPHEM COMPOUND SHIONOGI & CO., LTD. (JP) 2015-12-03 US disclosed
US-20150344502-A1 CEPHEM COMPOUND SHIONOGI & CO., LTD. (JP) 2015-12-03 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 LCK 4608/4885FYN 4301/4885APAF1 3694/4885
US-20150344502-A1 CEPHEM COMPOUND PRMT6, CEP170, NR0B1 LCK 4242/4885FYN 2718/4885APAF1 4879/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 LCK 2349/4885FYN 2636/4885APAF1 4229/4885

“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.