SCHEMBL12944387

SCHEMBL12944387

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.55
▸ MDM2 Q00987 5/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TLR2 O60603 3/20 0.46
▸ C3AR1 Q16581 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
SCHEMBL29702562 1.00 CASP3 (0.55) CASP3MDM2KMT2ATLR2C3AR1
SCHEMBL13044089 1.00 CASP3 (0.55) CASP3MDM2KMT2ATLR2C3AR1
SCHEMBL29407920 1.00 CASP3 (0.55) CASP3MDM2KMT2ATLR2C3AR1
SCHEMBL13830553 1.00 CASP3 (0.55) CASP3MDM2KMT2ATLR2C3AR1
SCHEMBL31045201 1.00 CASP3 (0.55) CASP3MDM2KMT2ATLR2C3AR1
SCHEMBL3193169 1.00 CASP3 (0.55) CASP3MDM2KMT2ATLR2C3AR1
SCHEMBL29580018 1.00 CASP3 (0.55) CASP3MDM2KMT2ATLR2C3AR1
SCHEMBL13401540 1.00 CASP3 (0.55) CASP3MDM2KMT2ATLR2C3AR1
SCHEMBL31456589 0.93 CASP3 (0.51) CASP3MDM2KMT2ATLR2
SCHEMBL29899681 0.93 CASP3 (0.53) CASP3MDM2KMT2ATLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10835616-B2 Process for the conjugation of a peptide or protein with a reagent comprising a leaving group including a portion of PEG POLYTHERICS LIMITED (GB) 2020-11-17 — — US disclosed
US-20170304461-A1 Process For The Conjugation Of A Peptide Or Protein With A Reagent Comprising A Leaving Group Including A Portion Of PEG POLYTHERICS LIMITED (GB) 2017-10-26 — — US disclosed
US-20170290925-A1 Conjugates And Conjugating Reagents POLYTHERICS LIMITED (GB) 2017-10-12 — — US disclosed
WO-2016148674-A1 CONJUGATES FOR TREATING DISEASES ENDOCYTE, INC. (US) 2016-09-22 — — WO disclosed
WO-2011001052-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 — — 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 (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-20170304461-A1 Process For The Conjugation Of A Peptide Or Protein With A Reagent Comprising A Leaving Group Including A Portion Of PEG LNPEP, ANPEP, NGLY1 CASP3 4197/4885MDM2 1134/4885KMT2A 3686/4885
US-20170290925-A1 Conjugates And Conjugating Reagents ANPEP, NGLY1, PCTP CASP3 4015/4885MDM2 2441/4885KMT2A 3168/4885
US-10835616-B2 Process for the conjugation of a peptide or protein with a reagent comprising a leaving group including a portion of PEG LNPEP, ANPEP, NGLY1 CASP3 4197/4885MDM2 1134/4885KMT2A 3686/4885

“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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