SCHEMBL4339007

SCHEMBL4339007

CS(=O)(=O)O.Cc1c(-c2ccc3ccccc3c2C=O)c2cccc3c2n1[C@H](CN1CCOCC1)CO3

nearest known ligand 0.66

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
CNR1 P21554 9/20 0.66
CNR2 P34972 9/20 0.66
ALDH1A1 P00352 3/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C9 P11712 2/20 0.66
RGS12 O14924 1/20 0.66
GMNN O75496 1/20 0.66
LMNA P02545 1/20 0.66
TP53 P04637 1/20 0.66
CYP2D6 P10635 1/20 0.66
ALOX15 P16050 1/20 0.66
NFKB1 P19838 1/20 0.66
MAPK1 P28482 1/20 0.66
CYP2C19 P33261 1/20 0.66
THPO P40225 1/20 0.66
BLM P54132 1/20 0.66
GNAI1 P63096 1/20 0.66
PMP22 Q01453 1/20 0.66
PAX8 Q06710 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66

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
SCHEMBL1431579 0.96 CNR1 (0.61) CNR1CNR2ALDH1A1CYP3A4CYP2C9
Formaldehyde SCHEMBL17295810 0.83 CNR1 (0.58) CNR1CNR2ALDH1A1CYP3A4CYP2C9
SCHEMBL31297105 0.81 CNR1 (0.61) CNR1CNR2ALDH1A1CYP3A4CYP2C9
Win-552122 SCHEMBL29496357 0.79 CNR1 (1.00) CNR1CNR2ALDH1A1CYP3A4CYP2C9
Win-552122 SCHEMBL8071465 0.79 CNR1 (1.00) CNR1CNR2ALDH1A1CYP3A4CYP2C9
Win-552122 SCHEMBL1517636 0.79 CNR1 (1.00) CNR1CNR2ALDH1A1CYP3A4CYP2C9
Win-552122 SCHEMBL3680086 0.74 CNR1 (1.00) CNR1CNR2ALDH1A1CYP3A4CYP2C9
Win-552122 SCHEMBL29611661 0.74 CNR1 (1.00) CNR1CNR2ALDH1A1CYP3A4CYP2C9
Win-552122 SCHEMBL29361053 0.74 CNR1 (1.00) CNR1CNR2ALDH1A1CYP3A4CYP2C9
Win-552122 SCHEMBL29381882 0.74 CNR1 (1.00) CNR1CNR2ALDH1A1CYP3A4CYP2C9

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
EP-3148541-B1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIV BERN (CH) 2020-09-02 EP disclosed
US-10300048-B2 Thiazolidinones as cellular anandamide uptake inhibitors and their use in the treatment of psychiatric or neurological disorders and inflammation, in particular neuroinflammation UNIVERSITAT BERN (CH) 2019-05-28 US disclosed
US-20170296515-A1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2017-10-19 US disclosed
EP-3148541-A1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION Universität Bern (CH) 2017-04-05 EP disclosed
EP-2952188-A1 Thiazolidinones as cellular anandamide uptake inhibitors and their use in the treatment of psychiatric or neurological disorders and inflammation, in particular neuroinflammation Universität Bern (CH) 2015-12-09 EP disclosed
WO-2015181336-A1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION Universität Bern (CH) 2015-12-03 WO disclosed
EP-2048534-A1 METHOD FOR THE SURFACE TREATMENT OF SOLID SUBSTRATES Universidad del Pais Vasco (ES) 2009-04-15 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 (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-10300048-B2 Thiazolidinones as cellular anandamide uptake inhibitors and their use in the treatment of psychiatric or neurological disorders and inflammation, in particular neuroinflammation SLC18A2, AANAT, CNR2 CNR1 5/4885CNR2 3/4885ALDH1A1 395/4885
US-20170296515-A1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION SLC18A2, AANAT, CNR2 CNR1 5/4885CNR2 3/4885ALDH1A1 395/4885

“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.