SCHEMBL17282586

SCHEMBL17282586

CC(=O)N[C@@H](C)C(=O)N1C[C@@H](O)C[C@H]1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.46
▸ ATM Q13315 1/20 0.45
▸ PIK3CD O00329 4/20 0.43
▸ FAP Q12884 2/20 0.43
▸ PREP P48147 1/20 0.43
▸ DPP4 P27487 6/20 0.39
▸ DPP8 Q6V1X1 6/20 0.39
▸ DPP9 Q86TI2 6/20 0.39
▸ DPP7 Q9UHL4 1/20 0.38
▸ MMP2 P08253 1/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ PIK3CA P42336 2/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PEPD P12955 1/20 0.32

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
SCHEMBL17282614 1.00 PIN1 (0.46) PIN1ATMPIK3CDFAPPREP
SCHEMBL23314729 0.88 PIN1 (0.46) PIN1ATMPIK3CDFAPPREP
SCHEMBL15110224 0.87 ATM (0.63) ATMPIK3CDFAPPREPDPP4
SCHEMBL16267210 0.87 ATM (0.63) ATMPIK3CDFAPPREPDPP4
SCHEMBL15110042 0.87 ATM (0.63) ATMPIK3CDFAPPREPDPP4
SCHEMBL16267049 0.87 ATM (0.63) ATMPIK3CDFAPPREPDPP4
SCHEMBL15110041 0.87 ATM (0.63) ATMPIK3CDFAPPREPDPP4
SCHEMBL18681034 0.86 ATM (0.40) PIN1ATMPIK3CDFAPDPP4
SCHEMBL18681155 0.86 ATM (0.40) PIN1ATMPIK3CDFAPDPP4
SCHEMBL17282582 0.84 PIN1 (0.63) PIN1PIK3CDFAPPREPDPP4

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
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 — — EP 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 (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-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC PIN1 834/4885ATM 2604/4885PIK3CD 3033/4885

“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