SCHEMBL5717296

SCHEMBL5717296

CCCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)OC(C)(C)C)CCN(C(=O)C(F)(F)F)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.42
FAAH O00519 1/20 0.38
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
MAPT P10636 2/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
Hydrochloric Acid SCHEMBL5717445 0.86 S1PR1 (0.43) S1PR1FAAHKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5717269 0.84 S1PR1 (0.46) S1PR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5717421 0.79 S1PR1 (0.36) S1PR1FAAHSMN1; SMN2ALDH1A1LMNA
SCHEMBL5846699 0.71 S1PR1 (0.49) S1PR1ME2ME1ME3
SCHEMBL5848378 0.71 MMP13 (0.44) S1PR1ME2ME1ME3KDM4E
SCHEMBL6097295 0.71 MMP13 (0.54) S1PR1
SCHEMBL5847623 0.71 MMP13 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8291895 0.70 MMP2 (0.42) MEN1KMT2AMAPT
SCHEMBL5717428 0.70 MMP13 (0.40) SMN1; SMN2MAPTPOLB
SCHEMBL8292574 0.70 S1PR1 (0.43) S1PR1FAAHME2ME1ME3

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 7 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
EP-1689743-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2006-08-16 EP disclosed
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-09-22 US disclosed
WO-2005042521-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed
EP-1501827-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACID AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-02-02 EP disclosed
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-01-13 US disclosed
WO-2003091247-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-11-06 WO 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 2285/4885FAAH 483/4885ME2 891/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 S1PR1 2285/4885FAAH 483/4885ME2 891/4885

“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.