SCHEMBL23329644

SCHEMBL23329644

CC(C)C(=O)N1CCC(CS(=O)(=O)c2ccc(O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AOC2 O75106 6/20 0.52
▸ MAOA P21397 1/20 0.52
▸ PKM P14618 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MMP1 P03956 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ FAAH O00519 1/20 0.40

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
SCHEMBL23370127 0.92 AOC2 (0.60) AOC2MAOAPKMSMN1; SMN2MMP1
SCHEMBL23370082 0.86 AOC2 (0.57) AOC2MAOAPKMMMP13ADAM17
SCHEMBL23329647 0.86 AOC2 (0.57) AOC2MAOAPKMSMN1; SMN2MMP1
SCHEMBL23330156 0.81 AOC2 (0.62) AOC2MAOAPKMMMP1MMP13
SCHEMBL23370055 0.76 AOC2 (0.60) AOC2MAOAPKMMMP13ADAM17
SCHEMBL1753627 0.76 EPHX2 (0.53) ALDH1A1FAAH
SCHEMBL23370178 0.75 CA12 (0.54) ALDH1A1
SCHEMBL23330157 0.74 AOC2 (0.53) AOC2MAOAPKMSMN1; SMN2ALDH1A1
SCHEMBL23329474 0.74 AOC2 (0.59) AOC2MAOAPKMSMN1; SMN2MMP13
SCHEMBL22557076 0.72 CNR2 (0.52) AOC2MAOACNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026801-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE INC. 2023-01-26 — — US disclosed
US-20210147360-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE INC. 2021-05-20 — — US disclosed
WO-2021083209-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE (SHANGHAI) CO., LTD. (CN) 2021-05-06 — — 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-20230026801-A1 SSAO INHIBITORS AND USE THEREOF SSB, HAO1, SORD AOC2 39/4885MAOA 17/4885PKM 660/4885
US-20210147360-A1 SSAO INHIBITORS AND USE THEREOF SSB, HAO1, SORD AOC2 39/4885MAOA 17/4885PKM 660/4885

“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.

Send feedback