Sugi Predict

Sugi Predict / Compounds / SCHEMBL4322281

SCHEMBL4322281

SCHEMBL4322281

COc1ccc(Cc2ccc([S+](N)[O-])cc2)c(F)c1-c1cccc(C(C)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ GAA P10253 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ CTSA P10619 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FFAR1 O14842 2/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ ABCB1 P08183 1/20 0.34

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
Hydrochloric Acid SCHEMBL3796887 0.87 SYK (0.41) FYNALDH1A1GAAMRGPRX4MAOB
SCHEMBL3467069 0.87 ALDH1A1 (0.38) FYNALDH1A1GAAMRGPRX4MAOB
SCHEMBL3796531 0.86 ERN1 (0.43) FYNALDH1A1GAAMEN1KMT2A
SCHEMBL15906192 0.86 MAOB (0.44) FYNALDH1A1GAAMRGPRX4MAOB
SCHEMBL8075441 0.85 CA1 (0.44) ALDH1A1TSHRPKMFLT1FLT4
SCHEMBL3467033 0.85 MRGPRX4 (0.45) ALDH1A1GAAMRGPRX4MEN1KMT2A
SCHEMBL3466244 0.84 ERN1 (0.43) ALDH1A1GAAMEN1KMT2AERN1
SCHEMBL7916951 0.84 ALDH1A1 (0.42) ALDH1A1GAAMRGPRX4MAOBCTSA
SCHEMBL16158629 0.83 ALDH1A1 (0.36) FYNALDH1A1GAAMRGPRX4MAOB
SCHEMBL4329005 0.83 MAOB (0.48) ALDH1A1MAOBMEN1KMT2AMAPT

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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 — — US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 — — US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 — — US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 — — 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B FYN 1027/4885ALDH1A1 150/4885GAA 530/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B FYN 1027/4885ALDH1A1 150/4885GAA 530/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B FYN 1027/4885ALDH1A1 150/4885GAA 530/4885

“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.