SCHEMBL7110953

SCHEMBL7110953

O=C(NO)[C@H]1CCNC[C@H]1CS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.56
MMP13 P45452 6/20 0.46
MMP1 P03956 6/20 0.46
MMP9 P14780 3/20 0.46
MMP2 P08253 2/20 0.46
MMP3 P08254 2/20 0.46
MMP14 P50281 2/20 0.46
MMP8 P22894 1/20 0.46
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ABL1 P00519 1/20 0.38
MMP12 P39900 1/20 0.38
FFAR1 O14842 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
SCHEMBL7109249 0.89 ADAM17 (0.58) ADAM17MMP13MMP1MMP9MMP2
Trifluoroacetic Acid SCHEMBL7110999 0.84 ADAM17 (0.55) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7111008 0.76 ADAM17 (0.45) ADAM17MMP9MMP2MMP3MMP14
SCHEMBL56831 0.75 MMP1 (0.51) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7107375 0.72 ADAM17 (1.00) ADAM17MMP13
SCHEMBL7199642 0.72 MMP13 (0.57) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL460177 0.64 FAAH (0.48) MMP13MMP1MMP9MMP2MMP3
SCHEMBL10197649 0.64 ADRB3 (0.49) MMP13MMP1MMP9MMP2MMP3
SCHEMBL10712862 0.64 HTT (0.61) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7208191 0.64 MMP13 (0.80) MMP13MMP1MMP9MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087890-A1 1,2,-Disubstituted cyclic inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-05-08 US claimed
US-6642255-B2 Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
US-20030087890-A1 1,2,-Disubstituted cyclic inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-05-08 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 (1 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-20030087890-A1 1,2,-Disubstituted cyclic inhibitors of matrix metalloproteases and TNF-alpha MMP1, MMP8, MMP9 ADAM17 19/4885MMP13 10/4885MMP1 1/4885

“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.