Sugi Predict

Sugi Predict / Compounds / SCHEMBL4659901

SCHEMBL4659901

SCHEMBL4659901

COc1ccccc1C(c1cccc2ccccc12)C(C)(C#N)C(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPT P10636 3/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ APBA1 Q02410 1/20 0.35

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
SCHEMBL6401602 0.89 ESR1 (0.55) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4659928 0.89 ESR1 (0.55) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4659967 0.89 ESR1 (0.55) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4661506 0.89 ESR1 (0.55) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL6406635 0.89 ESR1 (0.55) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4661442 0.89 ESR1 (0.55) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4135203 0.88 ESR1 (0.54) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL13938655 0.88 ESR1 (0.54) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4659909 0.88 ESR1 (0.54) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL4661489 0.86 ESR1 (0.53) ESR1ESR2MEN1KMT2AL3MBTL1

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
EP-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 — — EP disclosed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 — — US disclosed
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis WYETH (US) 2005-11-17 — — US disclosed
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use WYETH 2005-01-06 — — 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-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis NFKBIA, IKBKB, NFKB2 ESR1 10/4885ESR2 11/4885MEN1 4749/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 ESR1 4478/4885ESR2 1808/4885MEN1 2920/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 ESR1 4557/4885ESR2 1987/4885MEN1 2575/4885

“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.