SCHEMBL16003176

SCHEMBL16003176

CC(C)(C)OC(=O)NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.47
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ TLR2 O60603 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SYK P43405 1/20 0.43

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
SCHEMBL12361310 0.90 MDM2 (0.46) MDM2MDM4TP53TLR2CASP3
SCHEMBL13654219 0.90 MDM2 (0.46) MDM2MDM4TP53TLR2CASP3
SCHEMBL1105517 0.90 MDM2 (0.46) MDM2MDM4TP53TLR2CASP3
SCHEMBL28982176 0.89 MDM2 (0.48) MDM2MDM4TP53CASP3SYK
SCHEMBL38664164 0.89 MDM2 (0.54) MDM2MDM4TP53TLR2CASP3
SCHEMBL12757436 0.89 MDM2 (0.54) MDM2MDM4TP53TLR2CASP3
SCHEMBL28982175 0.89 MDM2 (0.48) MDM2MDM4TP53CASP3SYK
SCHEMBL29484085 0.89 MDM2 (0.54) MDM2MDM4TP53TLR2CASP3
SCHEMBL4600320 0.89 MDM2 (0.54) MDM2MDM4TP53TLR2CASP3
SCHEMBL30385583 0.89 MDM2 (0.48) MDM2MDM4TP53CASP3SYK

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-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC (US) 2014-09-04 — — 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-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 MDM2 1644/4885MDM4 3892/4885TP53 1996/4885

“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