SCHEMBL18675246

SCHEMBL18675246

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 0.37
▸ PIK3CB P42338 9/20 0.37
▸ PIK3CD O00329 8/20 0.36
▸ PIK3CG P48736 8/20 0.36
▸ PI4KB Q9UBF8 3/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ PREP P48147 1/20 0.35
▸ FAP Q12884 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ XIAP P98170 1/20 0.33
▸ BIRC3 Q13489 1/20 0.33
▸ BIRC2 Q13490 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ SIGMAR1 Q99720 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
SCHEMBL18681073 0.86 PIK3CA (0.37) PIK3CAPIK3CBPIK3CDPIK3CGPREP
SCHEMBL23394685 0.86 PREP (0.37) PIK3CAPIK3CBPIK3CDPIK3CGPI4KB
SCHEMBL18681135 0.81 PREP (0.38) PIK3CAPIK3CBPIK3CDPIK3CGPREP
SCHEMBL18771926 0.77 PREP (0.32) PIK3CAPIK3CBPIK3CDPIK3CGPI4KB
SCHEMBL20629567 0.77 PIK3CA (0.39) PIK3CAPIK3CBPIK3CDPIK3CGPI4KB
SCHEMBL883412 0.76 ELANE (0.39) PIK3CAPIK3CBPIK3CDPIK3CGPI4KB
SCHEMBL18771568 0.76 DPP4 (0.31) PREPFAPALDH1A1DPP4
SCHEMBL18681072 0.76 PREP (0.45) PIK3CAPREPFAPKDM4E
SCHEMBL18681357 0.75 PREP (0.41) PREPFAPKDM4ESIGMAR1
SCHEMBL18675245 0.75 FAP (0.51) PIK3CAPIK3CBPIK3CDPIK3CGPI4KB

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 PIK3CA 2982/4885PIK3CB 1680/4885PIK3CD 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