Sugi Predict

Sugi Predict / Compounds / SCHEMBL6724013

SCHEMBL6724013

SCHEMBL6724013

CCOC(=O)c1cn(N(C)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2c(F)cc(I)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K2 P36507 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ STAT3 P40763 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ BAZ2B Q9UIF8 1/20 0.33
▸ BAZ2A Q9UIF9 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CLEC4M Q9H2X3 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL9426881 0.88 STAT3 (0.48) MAP2K2MAP2K1STAT3KDM4EALDH1A1
SCHEMBL3290751 0.85 STAT3 (0.41) MAP2K2MAP2K1STAT3KDM4EALDH1A1
SCHEMBL3291748 0.84 STAT3 (0.44) MAP2K2MAP2K1STAT3KDM4EALDH1A1
SCHEMBL9031356 0.81 STAT3 (0.53) STAT3KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL9427532 0.79 STAT3 (0.52) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7935807 0.77 MAP2K2 (0.53) MAP2K2MAP2K1STAT3KDM4EALDH1A1
SCHEMBL3290754 0.76 KMT2A (0.42) MAP2K2MAP2K1STAT3KDM4EALDH1A1
SCHEMBL9427196 0.72 STAT3 (0.52) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3289292 0.72 STAT3 (0.46) MAP2K2MAP2K1STAT3KDM4EALDH1A1
SCHEMBL1432398 0.72 KMT2A (0.49) MAP2K2MAP2K1STAT3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 — — US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 — — US disclosed
EP-1299387-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 — — EP disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 — — US disclosed
WO-2002004445-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 — — 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MAP2K2 3988/4885MAP2K1 4177/4885STAT3 3705/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MAP2K2 3988/4885MAP2K1 4177/4885STAT3 3705/4885

“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.