SCHEMBL29132487

SCHEMBL29132487

COC(=O)CN(C(=O)C(F)(F)F)c1c(OCc2ccccc2)cc2c(c1F)C[C@H](NC(=O)OC(C)(C)C)C=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.32
PTGER1 P34995 1/20 0.32
RORC P51449 2/20 0.31
PDE4B Q07343 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ALDH1A1 P00352 2/20 0.30
BRD4 O60885 1/20 0.30
MLYCD O95822 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
SMPD1 P17405 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL25338437 0.94 NFKB1 (0.36) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL29132485 0.86 CYP2C9 (0.33) KMT2AL3MBTL1CYP2C9PTGER1RORC
SCHEMBL29626373 0.84 PDE4B (0.34) KMT2AL3MBTL1CYP2C9PTGER1RORC
SCHEMBL29626354 0.84 PDE4B (0.34) KMT2AL3MBTL1CYP2C9PTGER1RORC
SCHEMBL29626374 0.82 CYP2C9 (0.34) KMT2AL3MBTL1CYP2C9PTGER1RORC
SCHEMBL29132470 0.82 CYP2C9 (0.34) KMT2AL3MBTL1CYP2C9PTGER1RORC
SCHEMBL29626333 0.82 KMT2A (0.36) KMT2AL3MBTL1CYP2C9PTGER1RORC
SCHEMBL31369348 0.81 KMT2A (0.36) KMT2AL3MBTL1CYP2C9PTGER1RORC
SCHEMBL30683975 0.81 NFKB1 (0.38) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL29132491 0.81 NFKB1 (0.38) NFKB1NFKB2RELAKMT2AL3MBTL1

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 NFKB1 3254/4885NFKB2 3102/4885RELA 4097/4885

“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.