Sugi Predict

Sugi Predict / Compounds / SCHEMBL5799571

SCHEMBL5799571

SCHEMBL5799571

CCCCC(C)(C)C(=O)OCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.50
▸ CYP4A11 Q02928 2/20 0.50
▸ ELANE P08246 2/20 0.36
▸ FDPS P14324 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PAM P19021 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ NAAA Q02083 1/20 0.31
▸ DGKA P23743 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL2219008 0.92 CYP4F2 (0.56) CYP4F2CYP4A11ELANEFDPSALDH1A1
SCHEMBL23218023 0.90 CYP4F2 (0.55) CYP4F2CYP4A11ELANEATMMAPT
SCHEMBL12819748 0.88 CYP4F2 (0.44) CYP4F2CYP4A11ELANEFDPSALDH1A1
SCHEMBL7941258 0.83 CYP4F2 (0.69) CYP4F2CYP4A11ELANEALDH1A1ATM
SCHEMBL19018809 0.82 CYP4F2 (0.52) CYP4F2CYP4A11ELANEALDH1A1ATM
SCHEMBL19359962 0.82 CYP4F2 (0.52) CYP4F2CYP4A11ELANEALDH1A1ATM
SCHEMBL20394143 0.80 CYP4F2 (0.50) CYP4F2CYP4A11ELANEFDPSALDH1A1
SCHEMBL28713995 0.80 CYP4F2 (0.50) CYP4F2CYP4A11ELANEFDPSALDH1A1
SCHEMBL28051365 0.79 CYP4F2 (0.46) CYP4F2CYP4A11ELANEALDH1A1ATM
SCHEMBL1996294 0.79 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030868-B2 Prodrugs of CGRP antagonists PFIZER IRELAND PHARMACEUTICALS (IE) 2024-07-09 — — US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 — — US disclosed
EP-3863629-A1 PRODRUGS OF CGRP ANTAGONISTS Biohaven Pharmaceutical Holding Company Ltd. (US) 2021-08-18 — — EP disclosed
CN-112888438-A Prodrugs of CGRP antagonists 拜尔哈文制药股份有限公司 2021-06-01 — — CN disclosed
WO-2006037032-A2 PRODRUGS OF PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-06 — — WO disclosed
US-20060069101-A1 Prodrugs of protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-03-30 — — 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 (3 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-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS CALCRL, CALCA, CALCB CYP4F2 1789/4885CYP4A11 1388/4885ELANE 993/4885
US-20060069101-A1 Prodrugs of protein tyrosine kinase inhibitors ABL1, LCK, BRAF CYP4F2 1285/4885CYP4A11 2189/4885ELANE 1579/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB CYP4F2 1789/4885CYP4A11 1388/4885ELANE 993/4885

“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.