SCHEMBL2439000

SCHEMBL2439000

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ CASP3 P42574 2/20 0.48
▸ MDM2 Q00987 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ CACNA1B Q00975 1/20 0.45

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
SCHEMBL15883749 0.91 CASP3 (0.48) MDM4TP53CASP3MDM2KMT2A
SCHEMBL15387332 0.91 CASP3 (0.48) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29386346 0.90 CASP3 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29423514 0.90 CASP3 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL2313063 0.90 CASP3 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29361981 0.90 CASP3 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL7423417 0.90 CASP3 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL13636676 0.90 MDM4 (0.51) MDM4TP53CASP3MDM2KMT2A
SCHEMBL13163967 0.90 CASP3 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL8009538 0.90 CASP3 (0.53) MDM4TP53CASP3MDM2KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 — — US disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 — — EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 — — EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 — — US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 — — US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 — — 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 (3 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 MDM4 1135/4885TP53 1321/4885CASP3 258/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MDM4 2469/4885TP53 2587/4885CASP3 244/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MDM4 2469/4885TP53 2587/4885CASP3 244/4885

“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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