SCHEMBL6784989

SCHEMBL6784989

CC(C)C(CS(=O)(=O)N1CCN(c2ccc(-c3ccco3)cc2)CC1)C(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
PTGDR Q13258 2/20 0.42
TAAR1 Q96RJ0 1/20 0.39
MMP13 P45452 2/20 0.39
CYP3A4 P08684 1/20 0.39
MMP14 P50281 1/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL6782626 0.89 PTGDR (0.45) MAPTPTGDRTAAR1MMP13CYP3A4
SCHEMBL6782094 0.80 CYP11B1 (0.44) MAPTPOLB
SCHEMBL4610194 0.74 HSD17B10 (0.46) MAPTMMP13MMP9MEN1KMT2A
SCHEMBL4610349 0.74 MAPK1 (0.47) MAPTMMP13CYP3A4MMP9MEN1
SCHEMBL4612472 0.74 HSD17B10 (0.49) MAPTPOLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL4610297 0.74 MAPK1 (0.47) MAPTMMP13CYP3A4MMP9MEN1
SCHEMBL6785924 0.74 MMP2 (0.52) MMP13MMP14MMP1MMP9ADAM17
SCHEMBL4611167 0.73 HSD17B10 (0.60) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL4611148 0.72 TSHR (0.60) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6968740 0.72 MMP2 (0.41) MAPTPTGDRMMP13MMP14MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266764-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT 2004-12-30 US claimed
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 claimed
US-20030216404-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-11-20 US claimed
EP-1282614-B1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-11-12 EP claimed
EP-1282614-A1 HYDROXAMIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2003-02-12 EP claimed
US-20020037900-A1 Hydroxamic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-03-28 US claimed
WO-2001087870-A1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2001-11-22 WO claimed
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 MAPT 1206/4885PTGDR 1794/4885TAAR1 3804/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 MAPT 1206/4885PTGDR 1794/4885TAAR1 3804/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 MAPT 1206/4885PTGDR 1794/4885TAAR1 3804/4885

“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.