Sugi Predict

Sugi Predict / Compounds / SCHEMBL6782817

SCHEMBL6782817

SCHEMBL6782817

CC(C)[C@@H](CS(=O)(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.35
▸ IDH1 O75874 7/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ MGLL Q99685 2/20 0.34
▸ CHIA Q9BZP6 2/20 0.34
▸ TNF P01375 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ CHI3L1 P36222 1/20 0.34
▸ CHIT1 Q13231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ RET P07949 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
SCHEMBL6831648 1.00 RORC (0.35) RORCIDH1NAMPTMGLLCHIA
SCHEMBL7090855 1.00 RORC (0.35) RORCIDH1NAMPTMGLLCHIA
SCHEMBL7089116 0.93 HTR1A (0.38) RORCIDH1NAMPTTNFLMNA
SCHEMBL6788834 0.93 HTR1A (0.38) RORCIDH1NAMPTTNFLMNA
SCHEMBL6786463 0.93 HTR1A (0.38) RORCIDH1NAMPTTNFLMNA
SCHEMBL6865714 0.92 PPARA (0.34) RORCIDH1NAMPTCHIACHI3L1
SCHEMBL6865711 0.92 PPARA (0.34) RORCIDH1NAMPTCHIACHI3L1
SCHEMBL6787669 0.88 CCR1 (0.37) IDH1NAMPTPPARA
SCHEMBL6787665 0.88 CCR1 (0.37) IDH1NAMPTPPARA
SCHEMBL6787766 0.85 AOC3 (0.35) IDH1NAMPTTNFPPARA

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 RORC 1833/4885IDH1 521/4885NAMPT 108/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 RORC 1833/4885IDH1 521/4885NAMPT 108/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 RORC 1833/4885IDH1 521/4885NAMPT 108/4885

“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.