SCHEMBL7804336

SCHEMBL7804336

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
MMP1 P03956 12/20 0.53
ADAM17 P78536 1/20 0.53
MMP3 P08254 12/20 0.52
MMP9 P14780 7/20 0.52
MMP2 P08253 6/20 0.52
MMP7 P09237 9/20 0.51
MMP13 P45452 9/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP8 P22894 1/20 0.49
HCRTR1 O43613 2/20 0.48
HCRTR2 O43614 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 1/20 0.47

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
SCHEMBL7805720 0.97 CA12 (0.57) CA12CA1CA2CA9MMP1
SCHEMBL7802263 0.92 MMP1 (0.58) CA12CA1CA2CA9MMP1
SCHEMBL7802317 0.90 MMP1 (0.67) MMP1ADAM17MMP3MMP9MMP2
SCHEMBL7795572 0.88 MMP1 (0.61) MMP1ADAM17MMP3MMP9MMP2
SCHEMBL7795503 0.87 SCN3A (0.48) CA12CA1CA2CA9MMP3
SCHEMBL7803686 0.86 MMP1 (0.70) MMP1ADAM17MMP3MMP9MMP2
SCHEMBL7795511 0.85 CA12 (0.57) CA12CA1CA2CA9MMP1
SCHEMBL7803700 0.83 CA12 (0.62) CA12CA1CA2CA9MMP1
SCHEMBL24979958 0.81 MMP1 (0.63) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7216567 0.79 MMP1 (0.80) CA12CA1CA2CA9MMP1

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.