Sugi Predict

Sugi Predict / Compounds / SCHEMBL1725631

SCHEMBL1725631

SCHEMBL1725631

CC(C)(C)c1cc(-c2ccc[nH]c2=O)c2oc(=O)c(-c3ccc(NS(C)(=O)=O)cc3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PIP4K2A P48426 4/20 0.35
▸ PIP4K2B P78356 4/20 0.35
▸ PIP4K2C Q8TBX8 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ IKBKB O14920 2/20 0.35
▸ CHUK O15111 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ PRF1 P14222 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ ALDH2 P05091 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
SCHEMBL1726478 0.84 NCOA1 (0.43) LMNATP53
SCHEMBL2691334 0.83 CYP3A4 (0.50) CYP3A4LMNAPIP4K2APIP4K2BPIP4K2C
SCHEMBL1730325 0.82 CYP3A4 (0.46) CYP3A4PIP4K2APIP4K2BPIP4K2CPDPK1
SCHEMBL2692862 0.80 CYP3A4 (0.45) CYP3A4LMNAPIP4K2APIP4K2BPIP4K2C
SCHEMBL1702809 0.79 CYP3A4 (0.50) CYP3A4JAK2JAK1TYK2JAK3
SCHEMBL1702728 0.79 CYP3A4 (0.50) CYP3A4JAK2JAK1TYK2JAK3
SCHEMBL2692591 0.78 CYP3A4 (0.49) CYP3A4PIP4K2APIP4K2BPIP4K2CPDPK1
SCHEMBL2692666 0.74 CYP3A4 (0.45) CYP3A4JAK2PDPK1BRD4CREBBP
SCHEMBL1702792 0.74 CYP3A4 (0.45) CYP3A4LMNAPIP4K2APIP4K2BPIP4K2C
SCHEMBL1702674 0.74 CYP3A4 (0.45) CYP3A4JAK2LMNAPIP4K2APIP4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168792-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-01 — — US claimed
EP-2403844-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-01-11 — — EP claimed
WO-2010100178-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 — — WO claimed
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ABBOT SARAH C 2010-09-09 — — US claimed
US-8168792-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-01 — — US disclosed
US-8168792-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-01 — — US disclosed
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ABBOT SARAH C 2010-09-09 — — US disclosed
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ABBOT SARAH C 2010-09-09 — — 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 (1 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-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, IFNAR1, RRM2B CYP3A4 778/4885JAK2 432/4885JAK1 1351/4885

“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.