SCHEMBL5844573

SCHEMBL5844573

CCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)O)CCN(CCOC)CC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.45
MMP13 P45452 14/20 0.44
MMP9 P14780 9/20 0.44
MMP1 P03956 9/20 0.44
MMP2 P08253 6/20 0.44
MMP14 P50281 2/20 0.44
MMP3 P08254 1/20 0.44
MMP8 P22894 1/20 0.44
ADAM17 P78536 6/20 0.41
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
USP28 Q96RU2 1/20 0.38
USP25 Q9UHP3 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
SCHEMBL5846699 0.97 S1PR1 (0.49) S1PR1MMP13MMP9MMP1MMP2
SCHEMBL5848378 0.92 MMP13 (0.44) S1PR1MMP13MMP9MMP1MMP2
Hydrochloric Acid SCHEMBL5717397 0.90 MMP13 (0.50) MMP13MMP9MMP1MMP2MMP14
Hydrochloric Acid SCHEMBL5841394 0.87 MMP13 (0.49) S1PR1MMP13MMP9MMP1MMP2
SCHEMBL6097144 0.81 MMP13 (0.60) MMP13MMP9MMP1MMP2MMP14
SCHEMBL5840188 0.81 MMP13 (0.40) S1PR1MMP13MMP9MMP1MMP2
SCHEMBL5845551 0.80 MMP9 (0.43) MMP13MMP9MMP1MMP2MMP14
SCHEMBL5841309 0.79 MMP13 (0.40) S1PR1MMP13MMP9MMP1MMP2
SCHEMBL8292881 0.78 MMP13 (0.47) MMP13MMP9MMP1MMP2MMP14
SCHEMBL5717533 0.77 MMP13 (0.47) MMP13MMP9MMP1MMP2MMP14

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-7119203-B2 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-09-22 US disclosed
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-01-13 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 (2 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-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 S1PR1 2285/4885MMP13 6/4885MMP9 5/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 S1PR1 2285/4885MMP13 6/4885MMP9 5/4885

“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.