SCHEMBL29626362

SCHEMBL29626362

[2H]C([2H])(Nc1c(OCc2ccccc2)cc2c(c1F)C[C@H](N(CCC(C)C)C(=O)OCc1ccccc1)CC2)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.35
CCR5 P51681 4/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.33
ABCB1 P08183 1/20 0.32
CCRL2 O00421 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL29132471 0.85 RORC (0.35) HTR2ACCR5CA1CA2ACHE
SCHEMBL29626434 0.84 HTR2A (0.34) HTR2ACCR5CA1CA2ACHE
SCHEMBL29626276 0.84 HTR2A (0.38) HTR2ACCR5CA1CA2ACHE
SCHEMBL29132480 0.84 HTR2A (0.38) HTR2ACCR5CA1CA2ACHE
SCHEMBL29132505 0.84 HTR2A (0.38) HTR2ACCR5CA1CA2ACHE
SCHEMBL29626307 0.81 HTR2A (0.34) HTR2ACCR5CA1CA2ACHE
SCHEMBL25338313 0.80 TRPM8 (0.40) HTR2ACCR5CA1CA2ACHE
SCHEMBL29626448 0.79 TRPM8 (0.38) HTR2ACCR5CA1CA2ACHE
SCHEMBL25340719 0.78 GHSR (0.34) MEN1NPC1RAB9AKMT2A
SCHEMBL25339129 0.77 MC4R (0.37) MEN1NPC1RAB9AKMT2A

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-20250122160-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2025-04-17 US disclosed
EP-4211122-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Calico Life Sciences LLC (US) 2023-07-19 EP disclosed
WO-2022056281-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2022-03-17 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 (1 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-20250122160-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 HTR2A 2663/4885CCR5 3184/4885CA1 4547/4885

“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.