SCHEMBL25888233

SCHEMBL25888233

CC[C@H](C)C(NC)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.51
▸ MDM2 Q00987 2/20 0.45
▸ TFPI P10646 1/20 0.42
▸ PGR P06401 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ TSG101 Q99816 6/20 0.42
▸ VDR P11473 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ IL23R Q5VWK5 1/20 0.40
▸ KRAS P01116 2/20 0.39
▸ HRAS P01112 1/20 0.39
▸ SOS1 Q07889 1/20 0.39

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
SCHEMBL25888213 0.97 ESR1 (0.49) ESR1MDM2TFPIPGRESR2
SCHEMBL28564330 0.75 ALB (0.52) ESR1MDM2PGRESR2VDR
SCHEMBL31065620 0.75 ALB (0.52) ESR1MDM2PGRESR2VDR
SCHEMBL13656609 0.73 IL23R (0.43) ESR1ALBIL23R
SCHEMBL14571381 0.73 BACE1 (0.39) ESR1
SCHEMBL14571387 0.72 FOLH1 (0.39) ESR1MDM2TFPIALB
SCHEMBL314241 0.71 ALB (0.51) ALB
SCHEMBL13748088 0.70 ESR1 (0.45) ESR1PGRESR2TSG101VDR
SCHEMBL15061131 0.70 ESR1 (0.45) ESR1PGRESR2TSG101VDR
SCHEMBL10168630 0.69 RXFP1 (0.54) TFPIRXFP1KRASHRASSOS1

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-20230234971-A1 1,3,4,7-Tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[2,3-b][1,4]oxazepine Bcl-2 Inhibitors ABBVIE INC. (US) 2023-07-27 — — 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-20230234971-A1 1,3,4,7-Tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[2,3-b][1,4]oxazepine Bcl-2 Inhibitors BCL9L, BCL2L1, BCL2L2 ESR1 3502/4885MDM2 974/4885TFPI 3747/4885

“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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