SCHEMBL7795503

SCHEMBL7795503

CC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)[C@@H](C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
TSHR P16473 2/20 0.44
MMP8 P22894 4/20 0.43
MMP3 P08254 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7804336 0.87 CA12 (0.62) ALDH1A1CA12CA1CA2CA9
SCHEMBL7805720 0.83 CA12 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL7802263 0.79 MMP1 (0.58) ALDH1A1CA12CA1CA2CA9
SCHEMBL7802317 0.77 MMP1 (0.67) MMP2MMP9MMP8MMP3
SCHEMBL7805592 0.75 MMP1 (0.50) ALDH1A1HCRTR1HCRTR2MMP2MMP9
SCHEMBL7795572 0.75 MMP1 (0.61) ALDH1A1HCRTR1HCRTR2MMP2MMP9
SCHEMBL2704403 0.74 ALDH1A1 (0.64) SCN3AALDH1A1HTTHSD17B10HCRTR1
SCHEMBL893933 0.74 ALDH1A1 (0.64) SCN3AALDH1A1HTTHSD17B10HCRTR1
SCHEMBL8492945 0.74 MAPT (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL3094736 0.73 ALDH1A1 (0.60) SCN3AALDH1A1HTTMAPTHSD17B10

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 SCN3A 1678/4885ALDH1A1 4061/4885HTT 155/4885

“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.