SCHEMBL1673397

SCHEMBL1673397

COC(=O)C(NC(=O)O)[C@H](c1ccc(O)cc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
KMT2A Q03164 1/20 0.38
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TACR3 P29371 1/20 0.36
ESRRB O95718 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1149294 0.84 TDP1 (0.43) TAS1R3TAS1R1KMT2ACA12CA1
SCHEMBL8645873 0.80 NPSR1 (0.44) ESR2KMT2ACA1CA2NPSR1
SCHEMBL15110038 0.76 DPP4 (0.37) KMT2ASMN1; SMN2
SCHEMBL10316570 0.76 TACR3 (0.50) ESR1ESR2KMT2AMMP2MMP9
SCHEMBL19953455 0.72 SRC (0.43) ESR1ESR2KMT2ACA12CA1
SCHEMBL28079432 0.71 KMT2A (0.50) ESR1ESR2KMT2AMMP2MMP9
SCHEMBL28395624 0.70 SRC (0.42) ESR1ESR2KMT2ACA12CA1
SCHEMBL23786967 0.70 ACACB (0.37)
SCHEMBL1867115 0.70 CA12 (0.38) TAS1R3TAS1R1KMT2ACA12CA7
SCHEMBL10656849 0.69 BLM (0.45) ESR1ESR2KMT2A

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-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ESR1 4214/4885ESR2 3603/4885TAS1R3 1296/4885

“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.