SCHEMBL704856

SCHEMBL704856

COc1ccc2c(c1)N(CC[C@H]1CC[C@H](N(C(=O)O)C(C)(C)C)CC1)C(=O)CO2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 5/20 0.42
HSD17B10 Q99714 1/20 0.42
KMO O15229 1/20 0.41
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
HTT P42858 1/20 0.40
CHRM1 P11229 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL704857 1.00 KCNH2 (0.44) KCNH2TSHRMEN1KMT2ANPSR1
SCHEMBL708406 0.88 KCNH2 (0.55) KCNH2TSHRMEN1KMT2ANPSR1
SCHEMBL706951 0.85 KCNH2 (0.43) KCNH2TSHRMEN1KMT2AALDH1A1
SCHEMBL706952 0.85 KCNH2 (0.43) KCNH2TSHRMEN1KMT2AALDH1A1
SCHEMBL707698 0.84 KCNH2 (0.46) KCNH2TSHRMEN1KMT2ANPSR1
SCHEMBL921195 0.82 MEN1 (0.52) KCNH2TSHRMEN1KMT2AALOX15
SCHEMBL921193 0.82 MEN1 (0.52) KCNH2TSHRMEN1KMT2AALOX15
SCHEMBL706835 0.81 KCNH2 (0.48) KCNH2TSHRMEN1KMT2ANPSR1
SCHEMBL706836 0.81 KCNH2 (0.48) KCNH2TSHRMEN1KMT2ANPSR1
SCHEMBL707733 0.79 KCNH2 (0.56) KCNH2ALDH1A1KMOCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 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 (1 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885TSHR 4850/4885MEN1 2771/4885

“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.