SCHEMBL18675241

SCHEMBL18675241

CC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H](C)NC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.44
▸ PIK3CD O00329 2/20 0.39
▸ DPP4 P27487 6/20 0.36
▸ DPP8 Q6V1X1 6/20 0.36
▸ DPP9 Q86TI2 6/20 0.36
▸ FAP Q12884 2/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ PREP P48147 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ VHL P40337 3/20 0.32
▸ ELOC Q15369 3/20 0.32
▸ ELOB Q15370 3/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ ANPEP P15144 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
SCHEMBL18675242 1.00 ATM (0.44) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL18681034 0.87 ATM (0.40) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL18681155 0.87 ATM (0.40) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL18675243 0.84 PIN1 (0.42) DPP4DPP8DPP9FAPDPP7
SCHEMBL25603210 0.79 ATM (0.45) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL18675236 0.78 PREP (0.41) DPP4DPP8DPP9FAPALDH1A1
SCHEMBL15110224 0.77 ATM (0.63) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL15110041 0.77 ATM (0.63) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL15110042 0.77 ATM (0.63) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL16267049 0.77 ATM (0.63) ATMPIK3CDDPP4DPP8DPP9

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-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 — — 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-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ATM 2604/4885PIK3CD 3033/4885DPP4 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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