Sugi Predict

Sugi Predict / Compounds / SCHEMBL19782998

SCHEMBL19782998

SCHEMBL19782998

COc1cc(-c2cc(-c3ccc(Cl)cc3)nc(=O)[nH]2)ccc1OC(=O)[C@@H](CCCCNCl)NCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCL12 P48061 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.40
▸ AMY1A P0DUB6 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CDC7 O00311 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ LTB4R Q15722 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL22065539 0.94 CXCL12 (0.49) CXCL12KDM4EAMY1AMEN1KMT2A
SCHEMBL22066249 0.89 CXCL12 (0.56) CXCL12KDM4EAMY1AMEN1KMT2A
SCHEMBL22065540 0.85 CXCL12 (0.49) CXCL12KDM4EAMY1AMEN1KMT2A
SCHEMBL22066253 0.83 CXCL12 (0.53) CXCL12KDM4EAMY1AMEN1KMT2A
SCHEMBL19782997 0.83 CXCL12 (0.62) CXCL12KDM4EAMY1AMEN1KMT2A
SCHEMBL19783007 0.82 CXCL12 (0.57) CXCL12KDM4EAMY1AMEN1KMT2A
SCHEMBL22066251 0.81 CXCL12 (0.57) CXCL12KDM4EAMY1AMEN1KMT2A
SCHEMBL19783001 0.80 CXCL12 (0.65) CXCL12KDM4EAMY1AMEN1KMT2A
SCHEMBL22065124 0.79 CXCL12 (0.58) CXCL12KDM4EAMY1AMEN1KMT2A
SCHEMBL19782373 0.78 CXCL12 (0.72) CXCL12KDM4EMEN1KMT2ACDC7

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-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-06-29 — — US disclosed
US-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2020-06-11 — — US disclosed
WO-2018011376-A1 PYRIMIDINONE DERIVATIVES AND USES THEREOF TO NEUTRALIZE THE BIOLOGICAL ACTIVITY OF CHEMOKINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2018-01-18 — — 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 (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-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885KDM4E 4286/4885AMY1A 2627/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885KDM4E 4286/4885AMY1A 2627/4885

“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.