SCHEMBL17282585

SCHEMBL17282585

CC(=O)NCC(=O)N1CC[C@H](O)[C@H]1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 6/20 0.48
▸ PREP P48147 6/20 0.48
▸ DPP4 P27487 4/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ CFD P00746 1/20 0.31

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
SCHEMBL18681244 0.84 FAP (0.51) FAPPREPDPP4PIK3CAPIK3CB
SCHEMBL11770755 0.77 PIK3CA (0.37) PIK3CAPIK3CBSMN1; SMN2PIK3CDPIK3CG
SCHEMBL30493625 0.74 DPP4 (0.60) FAPPREPDPP4
SCHEMBL15756632 0.73 PREP (0.34) FAPPREPDPP4
SCHEMBL18771284 0.73 PIK3CA (0.36) FAPPREPDPP4PIK3CAPIK3CB
SCHEMBL17282592 0.72 PREP (0.49) FAPPREPDPP4PIK3CAPIK3CB
SCHEMBL18636990 0.71 FAP (0.34) FAPPREPDPP4SMN1; SMN2LMNA
SCHEMBL18675245 0.70 FAP (0.51) FAPPREPDPP4PIK3CAPIK3CB
SCHEMBL883054 0.68 MEN1 (0.48) FAPPREPPIK3CAPIK3CBPIK3CD
SCHEMBL464681 0.67 PREP (0.55) FAPPREPDPP4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 — — EP disclosed
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 — — US disclosed
US-10351595-B2 — — 2019-07-16 — — US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 — — US disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 — — WO 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 (3 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-10351595-B2 — MRPL21, PRSS1, PEPD FAP 109/4885PREP 10/4885DPP4 75/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC FAP 206/4885PREP 16/4885DPP4 58/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC FAP 206/4885PREP 16/4885DPP4 58/4885

“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.

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