SCHEMBL1782968

SCHEMBL1782968

CS(=O)(=O)O.OC1CCN1

nearest known ligand 0.39

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 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
GABRG2 P18507 1/20 0.39
NFKB1 P19838 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
PRCP P42785 1/20 0.34
AGL P35573 1/20 0.32
CA2 P00918 1/20 0.32
SLC1A2 P43004 1/20 0.31
GBA2 Q9HCG7 1/20 0.30
FUCA1 P04066 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
SCHEMBL30073700 0.83 LMNA (0.39) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL261917 0.78
Methane SCHEMBL8125715 0.75
SCHEMBL8366646 0.73 EPHX2 (0.43) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL28187077 0.72 TSHR (0.36) LMNACYP3A4GABRA1TSHRGABRG2
Aziridine SCHEMBL4605466 0.72
SCHEMBL486149 0.71
Azetidine SCHEMBL29252035 0.69
Piperazine SCHEMBL11121855 0.69 CYP3A4 (0.46) LMNACYP3A4GABRA1TSHRGABRG2
Azetidine SCHEMBL5748083 0.69 CYP3A4 (0.39) LMNACYP3A4GABRA1TSHRGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207355-B2 Method for preparing azetidine derivatives SANOFI-AVENTIS (FR) 2012-06-26 US disclosed
US-20110118481-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-05-19 US 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-20110118481-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES QDPR, AZI2, NISCH LMNA 1189/4885CYP3A4 325/4885GABRA1 2250/4885

“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.