SCHEMBL22223409

SCHEMBL22223409

CCOC(=O)C[C@H](N[S@+]([O-])C(C)(C)C)c1ccc(OC)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
PDE2A O00408 3/20 0.38
POLB P06746 2/20 0.38
GRK2 P25098 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CXCR2 P25025 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23178899 1.00 ALDH1A1 (0.41) ALDH1A1MAPTPDE2APOLBGRK2
SCHEMBL29883660 0.86 MRGPRX4 (0.42) ALDH1A1MEN1KMT2AFFAR1KDM4E
SCHEMBL22223339 0.86 MRGPRX4 (0.42) ALDH1A1MEN1KMT2AFFAR1KDM4E
SCHEMBL23179944 0.86 MRGPRX4 (0.42) ALDH1A1MEN1KMT2AFFAR1KDM4E
SCHEMBL23178763 0.86 MRGPRX4 (0.42) ALDH1A1MEN1KMT2AFFAR1KDM4E
SCHEMBL15512183 0.83 CXCR2 (0.41) PDE2ACXCR2TAS1R3TAS1R1
SCHEMBL15512184 0.83 CXCR2 (0.41) PDE2ACXCR2TAS1R3TAS1R1
SCHEMBL31109297 0.82 ALDH1A1 (0.38) ALDH1A1MAPTGRK2NPC1KDM4E
SCHEMBL31109288 0.80 ALDH1A1 (0.43) ALDH1A1MAPTPOLBNPC1MEN1
SCHEMBL20154372 0.80 AAK1 (0.43) ALDH1A1MAPTPDE2APOLBTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204976-A1 RNAi Agents for Inhibiting Expression of HIF-2 alpha (EPAS1), Compositions Thereof, and Methods of Use SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2022-06-30 US disclosed
US-20210093725-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-04-01 US disclosed
WO-2020146521-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF HIF-2 ALPHA (EPAS1), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2020-07-16 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-20210093725-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 ALDH1A1 2970/4885MAPT 3758/4885PDE2A 4676/4885
US-20220204976-A1 RNAi Agents for Inhibiting Expression of HIF-2 alpha (EPAS1), Compositions Thereof, and Methods of Use EPAS1, HIF1AN, HIF1A ALDH1A1 693/4885MAPT 4871/4885PDE2A 1046/4885

“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.