SCHEMBL5717262

SCHEMBL5717262

CC(C)(C)C(C(=O)O)S(=O)(=O)N1CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
AKR1C3 P42330 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
TSHR P16473 1/20 0.39
NAMPT P43490 1/20 0.39
MAPT P10636 6/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EIF4H Q15056 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 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
SCHEMBL6327190 0.80 S1PR1 (0.55) ALDH1A1
SCHEMBL6786173 0.74 MMP13 (0.46) POLBAKR1C3TSHRMAPTHPGD
SCHEMBL974007 0.72 POLB (0.54) POLBTSHRMAPTHPGDMAPK1
SCHEMBL21808632 0.71 AKR1C3 (0.50) POLBAKR1C3DRD2DRD4TSHR
SCHEMBL5717251 0.71 POLB (0.51) POLBAKR1C3TSHRMAPTSMN1; SMN2
SCHEMBL21484324 0.70 KDM4E (0.59) POLBAKR1C3TSHRMAPTHPGD
SCHEMBL6787059 0.69 MMP13 (0.42) POLBAKR1C3DRD2DRD4MAPT
SCHEMBL13913398 0.69 FPR2 (0.45) POLBAKR1C3DRD2DRD4TSHR
SCHEMBL5717268 0.69 ADAMTS4 (0.44) POLBAKR1C3DRD2DRD4MAPT
SCHEMBL20639952 0.68 IGF1R (0.50) AKR1C3DRD2DRD4MAPTSMN1; SMN2

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 POLB 2572/4885AKR1C3 1599/4885DRD2 4492/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 POLB 2572/4885AKR1C3 1599/4885DRD2 4492/4885

“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.