Sugi Predict

Sugi Predict / Compounds / SCHEMBL6788729

SCHEMBL6788729

SCHEMBL6788729

CC(C)[C@@H](CS(=O)(=O)N1CCN(c2ncc(-c3ccc(C(F)(F)F)cc3)cn2)CC1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.34
▸ SLC6A7 Q99884 1/20 0.34
▸ IDH1 O75874 3/20 0.34
▸ CXCR3 P49682 2/20 0.34
▸ CHRM2 P08172 3/20 0.33
▸ CHRM1 P11229 3/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP11B2 P19099 3/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ ELANE P08246 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GCKR Q14397 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
SCHEMBL6788725 1.00 PPARA (0.34) PPARASLC6A7IDH1CXCR3CHRM2
SCHEMBL6782020 0.92 LMNA (0.34) PPARAIDH1NAMPTLMNAKDM4E
SCHEMBL6782024 0.92 LMNA (0.34) PPARAIDH1NAMPTLMNAKDM4E
SCHEMBL6865714 0.91 PPARA (0.34) PPARAIDH1NAMPT
SCHEMBL6865711 0.91 PPARA (0.34) PPARAIDH1NAMPT
SCHEMBL6977106 0.89 KIT (0.34) PPARASLC6A7IDH1NAMPTALDH1A1
SCHEMBL6787552 0.89 KIT (0.34) PPARASLC6A7IDH1NAMPTALDH1A1
SCHEMBL6787549 0.89 KIT (0.34) PPARASLC6A7IDH1NAMPTALDH1A1
SCHEMBL6787766 0.88 AOC3 (0.35) PPARAIDH1NAMPT
SCHEMBL6789688 0.88 AOC3 (0.35) PPARAIDH1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266764-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT 2004-12-30 — — US disclosed
US-6809100-B2 2-(4-(4-FURAN-2-YLPHENYL)PIPERAZINE-1-SULFONYLMETHYL)-N-HYDROXY -3-METHYLBUTYRAMIDE, FOR EXAMPLE; TREATMENT OF CANCER, INFLAMMATION, OR AN AUTOIMMUNE, INFECTIOUS OR OCULAR DISEASE DARWIN DISCOVERY LTD. (GB) 2004-10-26 — — US disclosed
US-6787536-B2 A HYDROXAMIC ACID COMPOUND CONTAINING HETEROAROMATIC RING ATTACHED TO SULFONYL GROUP THROUGH NITROGEN ATOM, INHIBITOR OF MATRIX METALLOPRETEINASE, USEFUL FOR TREATING DEGENERATIVE DISEASES AND CERTAIN CANCER DARWIN DISCOVERY LIMITED (GB) 2004-09-07 — — US disclosed
US-20030216404-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-11-20 — — US disclosed
EP-1282614-B1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-11-12 — — EP disclosed
US-20020037900-A1 Hydroxamic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-03-28 — — 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-20020037900-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 PPARA 1955/4885SLC6A7 454/4885IDH1 521/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 PPARA 1955/4885SLC6A7 454/4885IDH1 521/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 PPARA 1955/4885SLC6A7 454/4885IDH1 521/4885

“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.