SCHEMBL22493740

SCHEMBL22493740

CC(C)(C)[S@@+]([O-])/N=C1\c2ccccc2CC12CCN(C(=O)O)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
HRH3 Q9Y5N1 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
ALDH1A1 P00352 3/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPY5R Q15761 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
SCHEMBL21855882 1.00 GPR3 (0.38) GPR3HRH3L3MBTL1HTR2AHTR2C
SCHEMBL29992908 1.00 GPR3 (0.38) GPR3HRH3L3MBTL1HTR2AHTR2C
SCHEMBL21855883 1.00 GPR3 (0.38) GPR3HRH3L3MBTL1HTR2AHTR2C
SCHEMBL22493738 1.00 GPR3 (0.38) GPR3HRH3L3MBTL1HTR2AHTR2C
SCHEMBL21855951 0.89 GPR3 (0.40) GPR3L3MBTL1POLBLMNA
SCHEMBL21855950 0.89 GPR3 (0.40) GPR3L3MBTL1POLBLMNA
SCHEMBL24097165 0.87 CHRM2 (0.39) TSHR
SCHEMBL22793052 0.87 CHRM2 (0.39) TSHR
SCHEMBL22774338 0.87 CHRM2 (0.39) TSHR
SCHEMBL21852133 0.87 CHRM2 (0.39) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2024-04-18 US disclosed
US-11884664-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2024-01-30 US disclosed
US-11634417-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2023-04-25 US disclosed
US-20230002355-A1 COMPOUND AS SHP2 INHIBITOR AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2023-01-05 US disclosed
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 US disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 US disclosed
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-10-08 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-11884664-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C GPR3 4426/4885HRH3 4033/4885L3MBTL1 2686/4885
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C GPR3 4426/4885HRH3 4033/4885L3MBTL1 2686/4885
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C GPR3 4426/4885HRH3 4033/4885L3MBTL1 2686/4885
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 GPR3 3621/4885HRH3 4295/4885L3MBTL1 3514/4885
US-11634417-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C GPR3 4426/4885HRH3 4033/4885L3MBTL1 2686/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ GPR3 3377/4885HRH3 3933/4885L3MBTL1 3727/4885
US-20230002355-A1 COMPOUND AS SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN7 GPR3 2009/4885HRH3 4439/4885L3MBTL1 3173/4885

“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.