SCHEMBL17282987

SCHEMBL17282987

COC(=O)[C@@H](CCN)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.55
▸ TLR2 O60603 2/20 0.51
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ MDM2 Q00987 2/20 0.48
▸ EPHX2 P34913 1/20 0.46

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
SCHEMBL15199950 1.00 KMT2A (0.55) KMT2ATLR2MDM4TP53CASP3
SCHEMBL15200084 0.93 TLR2 (0.56) KMT2ATLR2MDM4TP53CASP3
SCHEMBL12928572 0.92 TLR2 (0.60) KMT2ATLR2MDM4TP53CASP3
SCHEMBL1300995 0.92 TLR2 (0.60) KMT2ATLR2MDM4TP53CASP3
SCHEMBL30393342 0.92 TLR2 (0.60) KMT2ATLR2MDM4TP53CASP3
Hydrochloric Acid SCHEMBL29399128 0.91 TLR2 (0.60) KMT2ATLR2MDM4TP53CASP3
SCHEMBL10099563 0.91 KMT2A (0.53) KMT2ATLR2MDM4TP53CASP3
SCHEMBL13445218 0.90 KMT2A (0.57) KMT2ATLR2MDM4TP53CASP3
SCHEMBL30404089 0.90 KMT2A (0.57) KMT2ATLR2MDM4TP53CASP3
SCHEMBL19426629 0.90 KMT2A (0.57) KMT2ATLR2MDM4TP53CASP3

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 2 patents. 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
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 KMT2A 3283/4885TLR2 774/4885MDM4 3642/4885

“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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