SCHEMBL22690732

SCHEMBL22690732

CN(Cc1cc([N+](=O)[O-])ccc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CRHBP P24387 3/20 0.38
CRHR2 Q13324 3/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CYP19A1 P11511 2/20 0.37
CYP1A2 P05177 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABL1 P00519 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
SCHEMBL31240893 0.86 ITGA4 (0.38) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL13331264 0.85 ITGA4 (0.40) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL29424201 0.85 ITGA4 (0.40) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL22690406 0.84 PYCR1 (0.38) ITGA4ITGB7FAAHMGLLMEN1
SCHEMBL22690251 0.84 RIPK1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL29423516 0.83 ITGA4 (0.35) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL13331261 0.82 MAPT (0.44) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL29423510 0.82 MAPT (0.44) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL29423375 0.81 ITGA4 (0.41) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL13331268 0.81 ITGA4 (0.41) ITGA4ITGB7MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240042051-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE LES LABORATOIRES SERVIER (FR) 2024-02-08 US disclosed
WO-2023223097-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2023225336-A1 MET BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2023225320-A1 EPHA2 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
EP-4251209-A1 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF Novartis AG (CH) 2023-10-04 EP disclosed
EP-4251208-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE Novartis AG (CH) 2023-10-04 EP disclosed
US-20230091510-A1 ANTIBODY DRUG CONJUGATES HAVING LINKERS COMPRISING HYDROPHILIC GROUPS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-03-23 US disclosed
US-20230092679-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-03-23 US disclosed
US-20230081720-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-03-16 US disclosed
WO-2022115451-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2022-06-02 WO disclosed
WO-2022115477-A1 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2022-06-02 WO disclosed
EP-3972651-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE Novartis AG (CH) 2022-03-30 EP disclosed
WO-2020236817-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2020-11-26 WO disclosed
WO-2020236841-A2 ANTIBODY DRUG CONJUGATES HAVING LINKERS COMPRISING HYDROPHILIC GROUPS NOVARTIS AG (CH) 2020-11-26 WO disclosed
WO-2020236825-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2020-11-26 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 (4 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-20230092679-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MCL1, BCL9, BAK1 ITGA4 2195/4885ITGB7 1152/4885FAAH 3434/4885
US-20230081720-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MCL1, CD74, CD99 ITGA4 988/4885ITGB7 407/4885FAAH 3979/4885
US-20240042051-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MCL1, CD58, LENG8 ITGA4 229/4885ITGB7 83/4885FAAH 4241/4885
US-20230091510-A1 ANTIBODY DRUG CONJUGATES HAVING LINKERS COMPRISING HYDROPHILIC GROUPS CD44, IGSF11, ABCC1 ITGA4 298/4885ITGB7 300/4885FAAH 568/4885

“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.