SCHEMBL18681155

SCHEMBL18681155

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ DPP4 P27487 6/20 0.38
▸ DPP8 Q6V1X1 6/20 0.38
▸ DPP9 Q86TI2 6/20 0.38
▸ PIK3CD O00329 3/20 0.38
▸ PIN1 Q13526 1/20 0.37
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ ALDH1A1 P00352 2/20 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 2/20 0.32
▸ ELOC Q15369 2/20 0.32
▸ ELOB Q15370 2/20 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
SCHEMBL18681034 1.00 ATM (0.40) ATMDPP4DPP8DPP9PIK3CD
SCHEMBL18675241 0.87 ATM (0.44) ATMDPP4DPP8DPP9PIK3CD
SCHEMBL18675242 0.87 ATM (0.44) ATMDPP4DPP8DPP9PIK3CD
SCHEMBL18681242 0.87 RIPK1 (0.38) ATMDPP4DPP8DPP9PIK3CD
SCHEMBL17282614 0.86 PIN1 (0.46) ATMDPP4DPP8DPP9PIK3CD
SCHEMBL17282586 0.86 PIN1 (0.46) ATMDPP4DPP8DPP9PIK3CD
SCHEMBL18681117 0.85 PIN1 (0.52) DPP4DPP8DPP9PIK3CDPIN1
SCHEMBL18681135 0.78 PREP (0.38) DPP4DPP8DPP9PIK3CDPIK3CA
SCHEMBL24262637 0.77 DPP4 (0.39) ATMDPP4DPP8DPP9PIK3CD
SCHEMBL22790711 0.77 VHL (0.44) ATMDPP4DPP8DPP9PIN1

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-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

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 ATM 3791/4885DPP4 75/4885DPP8 72/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC ATM 2604/4885DPP4 58/4885DPP8 62/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ATM 2604/4885DPP4 58/4885DPP8 62/4885

“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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