SCHEMBL4074074

SCHEMBL4074074

O=C(Nc1cccc(CO)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TRPV1 Q8NER1 5/20 0.58
AURKA O14965 1/20 0.55
RPS6KB1 P23443 1/20 0.55
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
NAMPT P43490 3/20 0.53
NLRP3 Q96P20 1/20 0.53
ABL1 P00519 1/20 0.52
KCNH2 Q12809 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 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
SCHEMBL13026977 0.89 NPC1 (0.56) NPC1RAB9ASMN1; SMN2AURKAPDK1
SCHEMBL14965865 0.84 TRPV1 (0.72) NPC1RAB9ASMN1; SMN2TRPV1NAMPT
SCHEMBL22040864 0.82 NPC1 (0.60) NPC1RAB9ALMNASMN1; SMN2TRPV1
SCHEMBL12764060 0.82 RAB9A (0.74) NPC1RAB9ALMNASMN1; SMN2TRPV1
SCHEMBL20473794 0.81 MEN1 (0.73) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL4517770 0.81 TRPV1 (0.75) NPC1RAB9ALMNASMN1; SMN2TRPV1
SCHEMBL2105693 0.81 RAB9A (0.69) NPC1RAB9ALMNASMN1; SMN2TRPV1
Hydrochloric Acid SCHEMBL2105696 0.81 NPC1 (0.69) NPC1RAB9ALMNASMN1; SMN2TRPV1
SCHEMBL4078523 0.80 NPC1 (0.67) NPC1RAB9ALMNASMN1; SMN2TRPV1
SCHEMBL28007802 0.79 RAB9A (0.67) NPC1RAB9ALMNASMN1; SMN2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933012-B2 Glycopeptide antibiotic derivative SHIONOGI & CO., LTD. (JP) 2015-01-13 US disclosed
US-8933012-B2 Glycopeptide antibiotic derivative SHIONOGI & CO., LTD. (JP) 2015-01-13 US disclosed
US-8933012-B2 Glycopeptide antibiotic derivative SHIONOGI & CO., LTD. (JP) 2015-01-13 US disclosed
US-20090286717-A1 Glycopeptide Antibiotic Derivative SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286717-A1 Glycopeptide Antibiotic Derivative SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286717-A1 Glycopeptide Antibiotic Derivative SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
CN-101501064-A Glycopeptide Antibiotic Derivatives SHIONOGI & CO (JP) 2009-08-05 CN disclosed
EP-2030982-A1 GLYCOPEPTIDE ANTIBIOTIC DERIVATIVE SHIONOGI & CO., LTD. (JP) 2009-03-04 EP disclosed
EP-2030982-A1 GLYCOPEPTIDE ANTIBIOTIC DERIVATIVE SHIONOGI & CO., LTD. (JP) 2009-03-04 EP 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-20090286717-A1 Glycopeptide Antibiotic Derivative NR2C2, NR0B2, NR3C2 NPC1 1873/4885RAB9A 3933/4885LMNA 4020/4885

“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.