SCHEMBL22893452

SCHEMBL22893452

CCOCCNCCOC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 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
SCHEMBL20560999 0.83
SCHEMBL239490 0.81 ALDH1A1 (0.45) KDM4ERECQLALDH1A1TSHR
SCHEMBL21900667 0.79 CYP2C19 (0.38) TSHR
SCHEMBL816642 0.79 ALDH1A1 (0.39) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1965268 0.78 ALDH1A1 (0.43) KDM4ERECQLALDH1A1TSHR
SCHEMBL23564290 0.77 KDM4E (0.36) KDM4ERECQLALDH1A1TSHR
SCHEMBL31474633 0.77 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL10962985 0.76 KDM4E (0.47) KDM4ERECQLALDH1A1TSHR
SCHEMBL5933120 0.76 KDM4E (0.47) KDM4ERECQLALDH1A1TSHR
SCHEMBL3369011 0.75 ALDH1A1 (0.36) KDM4EALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954202-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof ABBVIE INC. (US) 2021-03-23 US disclosed
US-20210009542-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF ABBVIE INC. 2021-01-14 US 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 (2 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-10954202-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof PTPN1, PTPN2, PTPN18 KDM4E 2069/4885RECQL 2781/4885ALDH1A1 3671/4885
US-20210009542-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 KDM4E 2069/4885RECQL 2781/4885ALDH1A1 3671/4885

“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.