SCHEMBL5660418

SCHEMBL5660418

CS(=O)(=O)O.OCCc1ccccc1OCc1ccccc1

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 3/20 0.59
DRD2 known ✓ P14416 3/20 0.59
MGLL Q99685 1/20 0.56
LMNA P02545 2/20 0.53
ABCB1 P08183 6/20 0.52
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL3268053 0.89 HTR1A (0.73) HTR1ADRD2MGLLLMNAABCB1
SCHEMBL5658392 0.87 TP53 (0.47) HTR1ADRD2LMNAABCB1L3MBTL1
SCHEMBL7620729 0.82 HTR1A (0.63) HTR1ADRD2MGLLLMNAABCB1
SCHEMBL5657721 0.81 PPARD (0.47) LMNAGAAL3MBTL1MAPTALDH1A1
SCHEMBL5250481 0.80 HTR1A (0.53) HTR1ADRD2LMNAABCB1L3MBTL1
SCHEMBL11040584 0.80 CA12 (0.58) KDM4E
SCHEMBL31561714 0.80 HTR1A (0.69) HTR1ADRD2MGLLLMNAABCB1
SCHEMBL3159332 0.80 HTR1A (0.69) HTR1ADRD2MGLLLMNAABCB1
SCHEMBL5660413 0.79 HTR1A (0.59) HTR1ADRD2MGLLABCB1PTGER1
SCHEMBL8808610 0.79 MGLL (0.67) HTR1ADRD2MGLLLMNAABCB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384836-C Novel cyclic amide derivative MITSUBISHI PHARMACEUTICALS INC (JP) 2008-04-30 CN disclosed
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
CN-1426405-A Novel cyclic amide derivative MITSUBISHI PHARMACEUTICALS INC (JP) 2003-06-25 CN disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP 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 (1 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 79/4885DRD2 402/4885MGLL 673/4885

“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.