SCHEMBL5717237

SCHEMBL5717237

CC(C)(C)OC(=O)C1(S(=O)(=O)N2CCC(CO)CC2)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CYP3A4 P08684 2/20 0.32
ADAMTS4 O75173 4/20 0.31
ADAMTS5 Q9UNA0 4/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
TSHR P16473 2/20 0.31
TGFBR1 P36897 1/20 0.31
LMNA P02545 2/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5717379 0.92 CYP4F2 (0.34) SMN1; SMN2USP2RECQLCYP4F2CYP4A11
SCHEMBL5717194 0.90 CYP4F2 (0.38) SMN1; SMN2USP2RECQLCYP4F2CYP4A11
SCHEMBL5717234 0.89 CYP4F2 (0.39) SMN1; SMN2USP2RECQLCYP4F2CYP4A11
SCHEMBL5717338 0.88 CYP4F2 (0.41) SMN1; SMN2USP2RECQLCYP4F2CYP4A11
SCHEMBL5717186 0.87 ADAMTS4 (0.33) SMN1; SMN2USP2RECQLADAMTS4ADAMTS5
SCHEMBL5717205 0.87 ADAMTS4 (0.33) SMN1; SMN2USP2RECQLADAMTS4ADAMTS5
SCHEMBL5717453 0.86 SMN1; SMN2 (0.36) SMN1; SMN2USP2RECQLCYP4F2CYP4A11
SCHEMBL5717222 0.86 PKM (0.43) SMN1; SMN2USP2RECQLMMP9MMP13
SCHEMBL5717192 0.86 ADAMTS4 (0.35) SMN1; SMN2USP2RECQLADAMTS4ADAMTS5
SCHEMBL5717438 0.86 GPR119 (0.33) SMN1; SMN2USP2RECQLTSHR

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 10 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
EP-1562947-A1 4-AMINO-5-PHENYL-7-CYCLOHEXYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES Novartis AG (CH) 2005-08-17 EP disclosed
WO-2005042521-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2005-05-12 WO 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-2004043962-A1 4-AMINO-5-PHENYL-7-CYCLOHEXYL-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2004-05-27 WO 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 NR1H2 3667/4885SMN1; SMN2 1895/4885USP2 270/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 NR1H2 3667/4885SMN1; SMN2 1895/4885USP2 270/4885

“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.