SCHEMBL29626301

SCHEMBL29626301

CC(C)(C)OC(=O)NCC1CCc2cc(OCc3ccccc3)c(Br)c(F)c2C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.41
ACACA Q13085 6/20 0.41
DRD2 P14416 1/20 0.41
NPY5R Q15761 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
PRMT5 O14744 1/20 0.38
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
BRD4 O60885 2/20 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
SCHEMBL25338513 0.89 BRD4 (0.37) BCHEBRD4
SCHEMBL25337638 0.86 ACACB (0.39) ACACBACACADRD2NPY5RCKS1B
SCHEMBL29626442 0.86 ACACB (0.39) ACACBACACADRD2NPY5RCKS1B
SCHEMBL29132482 0.86 CA1 (0.46) DRD2NPY5R
SCHEMBL25338586 0.82 ITGB3 (0.43)
SCHEMBL25339339 0.80 MEN1 (0.35) BRD4
SCHEMBL29132486 0.79 KEAP1 (0.41)
SCHEMBL30683967 0.79 PTGIR (0.38)
SCHEMBL29132508 0.79 PTGIR (0.38)
SCHEMBL22412174 0.78 CA1 (0.44) CYP1A2CYP2C9BRD4

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 ACACB 946/4885ACACA 1298/4885DRD2 4866/4885

“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.