SCHEMBL25338586

SCHEMBL25338586

O=C(O)CC1CCc2cc(OCc3ccccc3)c(Br)c(F)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
PTGIR P43119 3/20 0.41
FFAR1 O14842 2/20 0.38
DGAT1 O75907 1/20 0.38
RXRB P28702 3/20 0.36
RXRA P19793 2/20 0.36
RXRG P48443 2/20 0.36
S1PR5 Q9H228 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KDM1A O60341 2/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
FOLH1 Q04609 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL29132497 0.90 S1PR5 (0.38) ITGB3ITGA2BPTGIRFFAR1DGAT1
SCHEMBL29132508 0.88 PTGIR (0.38) ITGB3ITGA2BPTGIRFFAR1HTR2A
SCHEMBL30683967 0.88 PTGIR (0.38) ITGB3ITGA2BPTGIRFFAR1HTR2A
SCHEMBL25338513 0.87 BRD4 (0.37) S1PR5HTR2AHTR2CKDM1AMEN1
SCHEMBL25336821 0.87 PTGIR (0.37) ITGB3ITGA2BPTGIRRXRBRXRA
SCHEMBL25339339 0.83 MEN1 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL22412174 0.82 CA1 (0.44) MEN1ALDH1A1KMT2A
SCHEMBL29626301 0.82 ACACB (0.41)
SCHEMBL29132486 0.81 KEAP1 (0.41) FOLH1MEN1KMT2A
Hydrochloric Acid SCHEMBL22412455 0.81 KDM1A (0.43) HTR2AHTR2CKDM1A

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 ITGB3 4788/4885ITGA2B 4685/4885PTGIR 3209/4885

“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.