SCHEMBL22402896

SCHEMBL22402896

N[C@H](C(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TACR1 P25103 2/20 0.51
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC15A1 P46059 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LTA4H P09960 1/20 0.47
LAP3 P28838 1/20 0.47
LMNA P02545 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
Bicarbonate SCHEMBL8762483 0.85 KMT2A (0.49) ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A2
Bicarbonate SCHEMBL8762493 0.85 KMT2A (0.49) ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A2
Bicarbonate SCHEMBL8762375 0.85 KMT2A (0.49) ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A2
SCHEMBL8965527 0.85 TACR1 (0.58) TACR1
SCHEMBL28101088 0.83 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A2
SCHEMBL12634626 0.83 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A2
SCHEMBL27489006 0.83 SLC15A1 (0.47) ALDH1A1MAPK1L3MBTL1TACR1SLC1A3
SCHEMBL7653627 0.82 SLC1A1 (0.62) ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A2
SCHEMBL383650 0.82 SLC1A1 (0.62) ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A2
SCHEMBL11472824 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TACR1SLC1A3

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
CN-113677668-B Bifunctional compounds and methods for androgen receptor targeted ubiquitination 蒙特利诺治疗公司 2024-09-27 CN disclosed
US-20240002360-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2024-01-04 US disclosed
US-11787778-B2 Bi-functional compounds and methods for targeted ubiquitination of androgen receptor MONTELINO THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
US-11787778-B2 Bi-functional compounds and methods for targeted ubiquitination of androgen receptor MONTELINO THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
US-20230241227-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2023-08-03 US disclosed
US-20230132823-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2023-05-04 US disclosed
US-11547759-B2 Bi-functional compounds and methods for targeted ubiquitination of androgen receptor MONTELINO THERAPEUTICS, INC. (US) 2023-01-10 US disclosed
US-20210292298-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2021-09-23 US disclosed
US-20200282068-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2020-09-10 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 (7 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-11787778-B2 Bi-functional compounds and methods for targeted ubiquitination of androgen receptor AR, ADRM1, PSMA3 ALDH1A1 2421/4885MAPK1 4357/4885L3MBTL1 1540/4885
US-20230241227-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR AR, ADRM1, PSMA3 ALDH1A1 2547/4885MAPK1 4388/4885L3MBTL1 1630/4885
US-20200282068-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR AR, ADRM1, PSMA3 ALDH1A1 2547/4885MAPK1 4388/4885L3MBTL1 1630/4885
US-20240002360-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR AR, ADRM1, PSMA3 ALDH1A1 2547/4885MAPK1 4388/4885L3MBTL1 1630/4885
US-11547759-B2 Bi-functional compounds and methods for targeted ubiquitination of androgen receptor AR, ADRM1, PSMA3 ALDH1A1 2421/4885MAPK1 4357/4885L3MBTL1 1540/4885
US-20210292298-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR AR, ADRM1, PSMA3 ALDH1A1 2547/4885MAPK1 4388/4885L3MBTL1 1630/4885
US-20230132823-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR AR, ADRM1, PSMA3 ALDH1A1 2421/4885MAPK1 4357/4885L3MBTL1 1540/4885

“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.