SCHEMBL18675236

SCHEMBL18675236

CC(=O)[C@@H]1CCN1C(=O)[C@H](C)NC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 4/20 0.41
▸ FAP Q12884 4/20 0.41
▸ SIGMAR1 Q99720 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 2/20 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
▸ DPP4 P27487 2/20 0.32
▸ DPP8 Q6V1X1 2/20 0.32
▸ DPP9 Q86TI2 2/20 0.32
▸ REN P00797 3/20 0.31
▸ ACE P12821 4/20 0.31
▸ F2 P00734 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PEPD P12955 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
SCHEMBL18675240 0.91 PREP (0.49) PREPFAPKDM4EDPP4DPP8
SCHEMBL18675250 0.90 PREP (0.45) PREPFAPSIGMAR1ALDH1A1KDM4E
SCHEMBL18681135 0.86 PREP (0.38) PREPFAPSIGMAR1ALDH1A1KDM4E
SCHEMBL11427419 0.79 ACE (0.55) KDM4ECYP2C19RENACEF2
SCHEMBL18681072 0.78 PREP (0.45) PREPFAPKDM4ERENACE
SCHEMBL18675241 0.78 ATM (0.44) PREPFAPALDH1A1KDM4EGAA
SCHEMBL18675248 0.78 ACE (0.43) PREPFAPALDH1A1KDM4EGAA
SCHEMBL18675242 0.78 ATM (0.44) PREPFAPALDH1A1KDM4EGAA
SCHEMBL18675244 0.77 PSMB9 (0.35) PREPFAPALDH1A1KDM4EGAA
SCHEMBL18681357 0.77 PREP (0.41) PREPFAPSIGMAR1KDM4EREN

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 PREP 16/4885FAP 206/4885SIGMAR1 1631/4885

“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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