SCHEMBL6782020

SCHEMBL6782020

CC(C)C(CS(=O)(=O)N1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1)C(=O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MMP13 P45452 3/20 0.34
CYP3A4 P08684 2/20 0.34
MMP14 P50281 2/20 0.34
ADAMTS4 O75173 1/20 0.34
KCNH2 Q12809 1/20 0.34
PPARA Q07869 1/20 0.34
ACACB O00763 1/20 0.34
IDH1 O75874 7/20 0.34
NAMPT P43490 2/20 0.34
FAAH O00519 1/20 0.33
RORC P51449 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
GPR183 P32249 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL6782024 1.00 LMNA (0.34) LMNAPOLBMMP13CYP3A4MMP14
Hydrochloric Acid SCHEMBL7177094 0.95 CYP3A4 (0.33) LMNAPOLBMMP13CYP3A4MMP14
Hydrochloric Acid SCHEMBL7177099 0.95 CYP3A4 (0.33) LMNAPOLBMMP13CYP3A4MMP14
SCHEMBL6865714 0.93 PPARA (0.34) KCNH2PPARAIDH1NAMPTRORC
SCHEMBL6865711 0.93 PPARA (0.34) KCNH2PPARAIDH1NAMPTRORC
SCHEMBL6788729 0.92 PPARA (0.34) LMNAPPARAIDH1NAMPTKDM4E
SCHEMBL6788725 0.92 PPARA (0.34) LMNAPPARAIDH1NAMPTKDM4E
SCHEMBL7089116 0.92 HTR1A (0.38) LMNAPOLBMMP13CYP3A4MMP14
SCHEMBL6788834 0.92 HTR1A (0.38) LMNAPOLBMMP13CYP3A4MMP14
SCHEMBL6786463 0.92 HTR1A (0.38) LMNAPOLBMMP13CYP3A4MMP14

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 LMNA 1239/4885POLB 1806/4885MMP13 29/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 LMNA 1239/4885POLB 1806/4885MMP13 29/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 LMNA 1239/4885POLB 1806/4885MMP13 29/4885

“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.