SCHEMBL10244889

SCHEMBL10244889

COC(=O)NCCNC(C)c1c(O)cccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA7 P43166 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CBR1 P16152 1/20 0.39
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.36
KCNA5 P22460 1/20 0.34
LMNA P02545 1/20 0.34
EPHX1 P07099 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MAPT P10636 1/20 0.33
RRM1 P23921 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL10243952 0.84 POLB (0.51) CA12CA1CA7CA14CA2
SCHEMBL10243804 0.78 OPRK1 (0.44) RAB9ATSHRLMNARRM1
SCHEMBL10243848 0.78 OPRK1 (0.44) RAB9ATSHRLMNARRM1
SCHEMBL10244285 0.77 ESR1 (0.42) CA12CA1CA7CA14CA2
SCHEMBL10243936 0.75 CA12 (0.40) CA12CA1CA7CA14CA2
SCHEMBL2985300 0.75 POLB (0.39) CA12CA1CA7CA14CA2
SCHEMBL10244611 0.75 HPGD (0.49) CA1CA2MTNR1AMTNR1BLMNA
SCHEMBL10244860 0.74 RRM1 (0.35) RAB9ATSHRLMNAEPHX1MAPT
SCHEMBL10243687 0.74 CASR (0.56) MTNR1AMTNR1B
SCHEMBL10243841 0.74 ADRB2 (0.39) CA12CA1CA7CA14CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CA12 2721/4885CA1 3677/4885CA7 510/4885

“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.