SCHEMBL7795511

SCHEMBL7795511

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
MMP2 P08253 13/20 0.51
MMP9 P14780 5/20 0.51
MMP3 P08254 10/20 0.49
MMP1 P03956 10/20 0.47
MMP13 P45452 8/20 0.47
MMP7 P09237 7/20 0.47
ADAM17 P78536 1/20 0.46

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
SCHEMBL7795549 0.93 MMP2 (0.51) CA12CA1CA2CA9MMP2
SCHEMBL7805690 0.91 MMP2 (0.63) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7804336 0.85 CA12 (0.62) CA12CA1CA2CA9MMP2
SCHEMBL7805720 0.82 CA12 (0.57) CA12CA1CA2CA9MMP2
SCHEMBL7803700 0.79 CA12 (0.62) CA12CA1CA2CA9MMP2
SCHEMBL7802263 0.77 MMP1 (0.58) CA12CA1CA2CA9MMP2
SCHEMBL7802259 0.77 SMN1; SMN2 (0.45)
SCHEMBL7802317 0.76 MMP1 (0.67) MMP2MMP9MMP3MMP1MMP13
SCHEMBL24979958 0.75 MMP1 (0.63) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7795572 0.74 MMP1 (0.61) MMP2MMP9MMP3MMP1MMP13

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 CA12 1924/4885CA1 2344/4885CA2 687/4885

“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.