SCHEMBL1711331

SCHEMBL1711331

CCCCn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 2/20 0.51
▸ CDC25A P30304 1/20 0.50
▸ CNR2 P34972 4/20 0.48
▸ CNR1 P21554 3/20 0.48
▸ CTSK P43235 4/20 0.47
▸ CTSS P25774 1/20 0.47
▸ ICMT O60725 1/20 0.47
▸ ACE P12821 2/20 0.46
▸ IDO1 P14902 2/20 0.45
▸ SCN9A Q15858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL27847751 1.00 ADAM17 (0.51) ADAM17CDC25ACNR2CNR1CTSK
SCHEMBL4934992 0.97 CDC25A (0.54) ADAM17CDC25ACNR2CNR1CTSK
SCHEMBL4935345 0.97 CDC25A (0.54) ADAM17CDC25ACNR2CNR1CTSK
SCHEMBL4934999 0.97 CDC25A (0.54) ADAM17CDC25ACNR2CNR1CTSK
SCHEMBL2839750 0.94 CTSK (0.48) ADAM17CDC25ACTSKCTSSACE
SCHEMBL2839747 0.94 CTSK (0.48) ADAM17CDC25ACTSKCTSSACE
SCHEMBL27847752 0.91 CNR1 (0.47) ADAM17CDC25ACNR2CNR1CTSK
SCHEMBL1711354 0.91 CNR1 (0.47) ADAM17CDC25ACNR2CNR1CTSK
SCHEMBL2845331 0.90 CTSS (0.48) ADAM17CNR2CNR1CTSKCTSS
SCHEMBL2845334 0.90 CTSS (0.48) ADAM17CNR2CNR1CTSKCTSS

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-9150510-B2 Amino acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-10-06 — — US disclosed
EP-2345635-A1 AMINO ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2011-07-20 — — EP disclosed
US-20110172442-A1 AMINO ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 — — 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-20110172442-A1 AMINO ACID DERIVATIVE OPRL1, OPRK1, SLC1A1 ADAM17 3078/4885CDC25A 4034/4885CNR2 413/4885

“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