SCHEMBL6785646

SCHEMBL6785646

CC(C)C(CS(=O)(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
RET P07949 3/20 0.42
MGLL Q99685 2/20 0.41
GPR119 Q8TDV5 4/20 0.41
PANK3 Q9H999 1/20 0.39
CNR2 P34972 1/20 0.39
KDR P35968 1/20 0.39
ETV6 P41212 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38

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
SCHEMBL6785651 1.00 EGLN1 (0.42) EGLN1RETMGLLGPR119PANK3
SCHEMBL6785900 0.90 MMP13 (0.43) RETGPR119MMP2MMP1MMP3
SCHEMBL6785894 0.90 MMP13 (0.43) RETGPR119MMP2MMP1MMP3
SCHEMBL6787976 0.89 RET (0.40) RETMGLLGPR119PANK3RAB9A
SCHEMBL6787183 0.89 RET (0.40) RETMGLLGPR119PANK3RAB9A
SCHEMBL6785879 0.81 MAPT (0.40) CNR2MMP2MMP1MMP3MMP7
SCHEMBL6785884 0.81 MAPT (0.40) CNR2MMP2MMP1MMP3MMP7
SCHEMBL6785348 0.79 CYP3A4 (0.41) RETGPR119MMP7MMP13
SCHEMBL6785352 0.79 CYP3A4 (0.41) RETGPR119MMP7MMP13
SCHEMBL6831648 0.79 RORC (0.35) RETMGLLGPR119

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 EGLN1 614/4885RET 2667/4885MGLL 3191/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 EGLN1 614/4885RET 2667/4885MGLL 3191/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 EGLN1 614/4885RET 2667/4885MGLL 3191/4885

“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.