SCHEMBL5655874

SCHEMBL5655874

COc1ccccc1CCCS(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
MPO P05164 1/20 0.49
PTGES2 Q9H7Z7 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
AOC3 Q16853 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL28365141 0.90 CA12 (0.55) CA12CA1CA2CA5ACA9
SCHEMBL10961411 0.86 MGLL (0.42) CA12CA1CA2CA5ACA9
SCHEMBL5992301 0.84 MGLL (0.39) CA12CA1CA2CA5ACA9
SCHEMBL10231708 0.80 CHRM2 (0.70) POLBCHRM2CHRM1CHRM3
SCHEMBL7831226 0.80 TAAR1 (0.69) CA12CA1CA2CA9CA14
SCHEMBL3630675 0.79 HTT (0.50) CA12CA1CA2CA5ACA9
SCHEMBL29138526 0.78 SLC6A2 (0.48) MTNR1AMTNR1BKDM4EHTT
SCHEMBL8808610 0.78 MGLL (0.67) KDM4E
SCHEMBL5992589 0.78 MGLL (0.46) TAAR1
SCHEMBL11040584 0.78 CA12 (0.58) CA12CA1CA2CA5ACA9

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-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP disclosed
EP-1044985-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2000-10-18 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 CA12 4637/4885CA1 4571/4885CA2 3770/4885

“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.