SCHEMBL17349982

SCHEMBL17349982

CCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)c1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL17349758 0.92 PRKCA (0.43) HTTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL17349987 0.91 KDM4E (0.48) HTTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL17349899 0.91 ALDH1A1 (0.42) HTTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL17349889 0.90 POLB (0.41) HTTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL17349882 0.90 ALDH1A1 (0.43) HTTSMN1; SMN2NPC1GAAALDH1A1
SCHEMBL17349897 0.90 ALDH1A1 (0.45) HTTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL17349990 0.89 MTNR1A (0.42) SMN1; SMN2RAB9AGAAALDH1A1MEN1
SCHEMBL17349884 0.89 CDC25B (0.43) HTTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL17349890 0.89 MAPT (0.43) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL17349871 0.88 LOXL2 (0.40) SMN1; SMN2RAB9ANPC1MAPTPOLB

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-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-17 — — 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-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS SI, ALPI, GAA HTT 4742/4885SMN1; SMN2 1494/4885RAB9A 1272/4885

“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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