SCHEMBL20518648

SCHEMBL20518648

NNC(=O)Cn1cnc(NC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ CDK5 Q00535 3/20 0.38
▸ CDK5R1 Q15078 3/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ THRB P10828 1/20 0.36
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 2/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM5C P41229 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
SCHEMBL18839722 0.71 KDM4E (0.38) KDM4ENPC1ALDH1A1PKMTHRB
SCHEMBL2824419 0.68 KDM4E (0.42) KDM4ENPC1ALDH1A1PKMMMP2
SCHEMBL20518608 0.68 GSK3B (0.39) CDK5CDK5R1MAP3K5PSEN1PSEN2
SCHEMBL1269214 0.66 CDK5 (0.57) CDK5CDK5R1
SCHEMBL4832580 0.64 ALPL (0.54) KDM4EALDH1A1
SCHEMBL2824892 0.62 ALDH1A1 (0.66) KDM4EALDH1A1L3MBTL1
SCHEMBL25212859 0.62 HCAR3 (0.53) KDM4E
SCHEMBL18839708 0.62 HPGD (0.48) KDM4EALDH1A1KDM5CPHF8KDM2A
SCHEMBL1026161 0.61 CPB2 (0.40) ALDH1A1
SCHEMBL2563036 0.61 ALDH1A1 (0.40) ALDH1A1THRBTAAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 — — 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-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS KDM4E 4330/4885NPC1 1905/4885ALDH1A1 2258/4885

“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.

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