SCHEMBL7036057

SCHEMBL7036057

CS(=O)(=O)OCCCC(=O)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 7/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
MMP9 P14780 1/20 0.45
ALOX15 P16050 1/20 0.45

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
Piposulfan SCHEMBL4636 0.80 ALDH1A1 (0.43) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL13187892 0.79 HPGD (0.46) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL10862611 0.79 HPGD (0.46) ATMKMT2AMEN1L3MBTL1TDP1
Piposulfan SCHEMBL28095073 0.77 ALDH1A1 (0.41) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL18526705 0.77 ATM (0.65) ATMKMT2AMEN1L3MBTL1TDP1
Piposulfan SCHEMBL14874457 0.76 ALDH1A1 (0.41) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL10722542 0.75 ATM (0.85) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL19574089 0.75 ATM (0.95) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL28366947 0.75 ATM (0.85) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL27487132 0.75 ATM (0.85) ATMKMT2AMEN1L3MBTL1TDP1

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-20030149269-A1 Substituted piperidine derivatives RAE DUNCAN ROBERTSON (GB) 2003-08-07 US disclosed
US-20020165395-A1 Substituted piperidine derivatives RAE DUNCAN ROBERTSON (GB) 2002-11-07 US disclosed
US-20020087001-A1 Substituted piperidine derivatives RAE DUNCAN ROBERTSON (GB) 2002-07-04 US disclosed
US-6365604-B1 Antipsychotic substituted piperidine derivatives AKZO NOBEL NV (NL) 2002-04-02 US disclosed
CN-1274357-A Antipsychotic substituted piperidine derivatives AKZO NOBEL NV (NL) 2000-11-22 CN disclosed
EP-1021440-A2 ANTIPSYCHOTIC SUBSTITUTED PIPERIDINE DERIVATIVES Akzo Nobel N.V. (NL) 2000-07-26 EP disclosed
WO-1999019324-A2 ANTIPSYCHOTIC SUBSTITUTED PIPERIDINE DERIVATIVES AKZO NOBEL N.V. (NL) 1999-04-22 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 (3 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-20020087001-A1 Substituted piperidine derivatives DRD2, GRIN2C, DRD4 ATM 4405/4885KMT2A 1744/4885MEN1 4589/4885
US-20030149269-A1 Substituted piperidine derivatives DRD2, GRIN2C, DRD4 ATM 4405/4885KMT2A 1744/4885MEN1 4589/4885
US-20020165395-A1 Substituted piperidine derivatives DRD2, GRIN2C, DRD4 ATM 4405/4885KMT2A 1744/4885MEN1 4589/4885

“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.