SCHEMBL8048083

SCHEMBL8048083

O=C(Cc1ccccc1)NCC(O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.62
CNR1 P21554 1/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ASAH1 Q13510 1/20 0.57
CNR2 P34972 1/20 0.57
KDM4E B2RXH2 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL27935185 0.89 BCAT2 (0.58) BCAT2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL28038749 0.89 BCAT2 (0.58) BCAT2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL11652084 0.87 ADRB3 (0.54) BCAT2CNR1ASAH1CNR2CRHBP
SCHEMBL11298537 0.87 ADRB3 (0.54) BCAT2CNR1ASAH1CNR2CRHBP
SCHEMBL11655875 0.87 ADRB3 (0.54) BCAT2CNR1ASAH1CNR2CRHBP
SCHEMBL11654512 0.86 CNR1 (0.61) BCAT2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL29206351 0.84 KMT2A (0.73) CNR1NPC1SMN1; SMN2CNR2L3MBTL1
Oxalic Acid SCHEMBL11654026 0.84 ADRB3 (0.52) BCAT2CNR1ASAH1CNR2CRHBP
Oxalic Acid SCHEMBL11655003 0.84 ADRB3 (0.52) BCAT2CNR1ASAH1CNR2CRHBP
Oxalic Acid SCHEMBL11655462 0.84 ADRB3 (0.52) BCAT2CNR1ASAH1CNR2CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999090-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI CO., LTD (JP) 2011-08-16 US disclosed
US-7910712-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD (JP) 2011-03-22 US disclosed
US-20090325228-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-31 US disclosed
US-7541332-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20090117586-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-07 US disclosed
US-20090098636-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD (JP) 2009-04-16 US disclosed
US-20080261272-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-23 US disclosed
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT, LTD. (JP) 2008-07-10 US disclosed
US-7375204-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-20 US disclosed
US-6049006-A INCREASES PLASMA LEVELS OF HDL CHOLESTEROL AND AS SUCH USED FOR TREATING DISEASES SUCH AS ATHEROSCLEROSIS AMERICAN HOME PRODUCTS CORP. (US) 2000-04-11 US disclosed
WO-1998057926-A1 ELEVATION OF HDL CHOLESTEROL BY N-[2-[ (AMINOTHIOXOMETHYL)HYDRAZONO] -2-ARYLETHYL]AMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 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 (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-20090325228-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 BCAT2 1989/4885CNR1 3331/4885NPC1 707/4885
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 BCAT2 2026/4885CNR1 3413/4885NPC1 945/4885

“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.