SCHEMBL22493731

SCHEMBL22493731

CC(C)(C)[S@@+]([O-])/N=C1\c2ccccc2CC12CC1CCC(C2)N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
HTR2A P28223 17/20 0.35
HRH1 P35367 17/20 0.35
HTR2B P41595 14/20 0.35
HTR2C P28335 13/20 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
SCHEMBL22493727 1.00 GPR3 (0.36) GPR3HTR2AHRH1HTR2BHTR2C
SCHEMBL22493728 1.00 GPR3 (0.36) GPR3HTR2AHRH1HTR2BHTR2C
SCHEMBL31288676 0.88 HSD11B1 (0.37) GPR3HTR2AHRH1HTR2BHTR2C
SCHEMBL29832724 0.88 HSD11B1 (0.37) GPR3HTR2AHRH1HTR2BHTR2C
SCHEMBL21855951 0.81 GPR3 (0.40) GPR3
SCHEMBL21855950 0.81 GPR3 (0.40) GPR3
SCHEMBL21855883 0.80 GPR3 (0.38) GPR3HTR2AHTR2BHTR2C
SCHEMBL21855882 0.80 GPR3 (0.38) GPR3HTR2AHTR2BHTR2C
SCHEMBL22493738 0.80 GPR3 (0.38) GPR3HTR2AHTR2BHTR2C
SCHEMBL22493740 0.80 GPR3 (0.38) GPR3HTR2AHTR2BHTR2C

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 4 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-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 (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-11884664-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C GPR3 4426/4885HTR2A 4539/4885HRH1 3098/4885
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C GPR3 4426/4885HTR2A 4539/4885HRH1 3098/4885
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C GPR3 4426/4885HTR2A 4539/4885HRH1 3098/4885
US-11634417-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C GPR3 4426/4885HTR2A 4539/4885HRH1 3098/4885

“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.