SCHEMBL17275932

SCHEMBL17275932

[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)N(CCNC(=O)CCOCCOCCOCCOCCON1C(=O)c2ccccc2C1=O)CCNC(=O)CCOCCOCCOCCOCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ CRBN Q96SW2 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ADRB2 P07550 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL18716984 0.86 GAA (0.49) GAAALDH1A1LMNAPKMCYP1A2
SCHEMBL14763361 0.79 GAA (0.73) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL17440158 0.79 GAA (0.73) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL17275882 0.78 CRBN (0.32) CRBN
SCHEMBL17275853 0.76 GAA (0.39) GAAALDH1A1LMNAPKMCYP1A2
SCHEMBL23921490 0.74 GAA (0.57) GAAALDH1A1RECQL
SCHEMBL19437622 0.74 CRBN (0.32) CRBN
SCHEMBL19437517 0.74 CRBN (0.32) CRBN
SCHEMBL28529745 0.74 GAA (0.53) GAAALDH1A1LMNAPKMCYP1A2
SCHEMBL18716962 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145552-B1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS NOVARTIS AG (CH) 2020-03-04 — — EP disclosed
US-10406198-B2 Methods for making conjugates from disulfide-containing proteins NOVARTIS AG (CH) 2019-09-10 — — US disclosed
US-10406198-B2 Methods for making conjugates from disulfide-containing proteins NOVARTIS AG (CH) 2019-09-10 — — US disclosed
US-20170095572-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-04-06 — — US disclosed
US-20170095572-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-04-06 — — US disclosed
US-20170095572-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-04-06 — — US disclosed
EP-3145552-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS Novartis AG (CH) 2017-03-29 — — EP disclosed
WO-2015179734-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS NOVARTIS AG (CH) 2015-11-26 — — WO disclosed
WO-2015179734-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS NOVARTIS AG (CH) 2015-11-26 — — 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 (2 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-20170095572-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS PDIA6, PDIA3, KRTCAP2 GAA 4216/4885ALDH1A1 490/4885CRBN 204/4885
US-10406198-B2 Methods for making conjugates from disulfide-containing proteins PDIA6, PDIA3, KRTCAP2 GAA 4216/4885ALDH1A1 490/4885CRBN 204/4885

“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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