SCHEMBL735949

SCHEMBL735949

O=C[C@H](O)CNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TGM2 P21980 1/20 0.50
SYK P43405 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
CTRB1 P17538 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46

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
SCHEMBL735712 1.00 HTT (0.56) HTTLMNASMN1; SMN2TGM2SYK
SCHEMBL735711 1.00 HTT (0.56) HTTLMNASMN1; SMN2TGM2SYK
SCHEMBL10403301 0.87 HTT (0.55) HTTLMNASMN1; SMN2TGM2SYK
SCHEMBL8745665 0.85 HTT (0.61) HTTLMNASMN1; SMN2TGM2KMT2A
SCHEMBL5019087 0.84 LMNA (0.61) HTTLMNASMN1; SMN2TGM2SYK
SCHEMBL14019069 0.84 LMNA (0.66) HTTLMNASMN1; SMN2TGM2SYK
SCHEMBL10403814 0.84 LMNA (0.54) HTTLMNASMN1; SMN2TGM2SYK
SCHEMBL29951926 0.84 LMNA (0.54) HTTLMNASMN1; SMN2TGM2SYK
SCHEMBL734467 0.82 LMNA (0.52) HTTLMNASMN1; SMN2TGM2SYK
SCHEMBL734465 0.82 LMNA (0.52) HTTLMNASMN1; SMN2TGM2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307387-B1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8288132-B2 Chemoenzymatic process for the preparation of iminocyclitols CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2012-10-16 US disclosed
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8071586-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
EP-2321285-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
EP-2307387-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010012619-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 WO disclosed
EP-2061892-B1 CHEMOENZYMATIC PROCESS FOR THE PREPARATION OF IMINOCYCLITOLS CONSEJO SUPERIOR INVESTIGACION (ES) 2010-02-03 EP disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 US disclosed
WO-2010006938-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 US disclosed
US-20100009417-A1 Chemoenzymatic process for the preparation of iminocyclitols CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2010-01-14 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 (2 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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 HTT 4172/4885LMNA 3760/4885SMN1; SMN2 4455/4885
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 HTT 4298/4885LMNA 3407/4885SMN1; SMN2 4376/4885

“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.