SCHEMBL29132486

SCHEMBL29132486

O=C(NCCCC[C@@H]1CCc2cc(OCc3ccccc3)c(Br)c(F)c2C1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
HTT P42858 1/20 0.41
TGM2 P21980 1/20 0.40
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
ACE P12821 2/20 0.38
PREP P48147 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
FOLH1 Q04609 1/20 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
SCHEMBL25339339 0.92 MEN1 (0.35) CA1CA2ACHEMEN1KMT2A
SCHEMBL25338513 0.82 BRD4 (0.37) CA1CA2ACHEMEN1KMT2A
SCHEMBL28934875 0.81 CA1 (0.56) DPP7CA1CA2ACHEMEN1
SCHEMBL25338586 0.81 ITGB3 (0.43) MEN1KMT2AFOLH1
SCHEMBL29626301 0.79 ACACB (0.41)
SCHEMBL30683967 0.78 PTGIR (0.38) CA1CA2ACHELMNA
SCHEMBL29132508 0.78 PTGIR (0.38) CA1CA2ACHELMNA
SCHEMBL22412174 0.76 CA1 (0.44) CA1CA2ACHEMEN1KMT2A
SCHEMBL29132489 0.76 CA1 (0.40) CA1CA2ACHELMNASMN1; SMN2
SCHEMBL25336821 0.75 PTGIR (0.37) CA1CA2ACHEMEN1KMT2A

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-20250122160-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2025-04-17 US disclosed
CN-116829555-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-09-29 CN 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 KEAP1 1560/4885NFE2L2 3796/4885HTT 1975/4885

“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.