SCHEMBL7805722

SCHEMBL7805722

COc1ccc(-c2ccc(S(=O)(=O)N3CC[C@@H](NCc4ccccc4)C[C@@H]3C(C)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.56
MMP3 P08254 12/20 0.56
MMP13 P45452 8/20 0.56
MMP2 P08253 6/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MMP9 P14780 10/20 0.53
MMP7 P09237 9/20 0.53
MMP8 P22894 2/20 0.49
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADAM17 P78536 1/20 0.48

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
SCHEMBL7803700 0.94 CA12 (0.62) MMP1MMP3MMP13MMP2CA12
SCHEMBL7805677 0.91 MMP1 (0.65) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7804336 0.79 CA12 (0.62) MMP1MMP3MMP13MMP2CA12
SCHEMBL8431713 0.78 ADAM17 (0.76) MMP1MMP3MMP13MMP9ADAM17
SCHEMBL7802263 0.77 MMP1 (0.58) MMP1MMP3MMP13MMP2CA12
SCHEMBL7805720 0.75 CA12 (0.57) MMP1MMP3MMP13MMP2CA12
SCHEMBL7802317 0.75 MMP1 (0.67) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7803684 0.74 MMP1 (0.60) MMP1MMP3MMP13MMP2MMP9
SCHEMBL8436365 0.74 ADAM17 (0.72) MMP1MMP3MMP13MMP8ADAM17
SCHEMBL7795572 0.73 MMP1 (0.61) MMP1MMP3MMP13MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010056184-A1 Pipecolinic acid derivatives, method of manufacturing the same and therapeutic agents containing these compounds KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2001-12-27 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-20010056184-A1 Pipecolinic acid derivatives, method of manufacturing the same and therapeutic agents containing these compounds NCEH1, NOP10, HRH1 MMP1 3910/4885MMP3 4710/4885MMP13 3380/4885

“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.