SCHEMBL21074178

SCHEMBL21074178

CS(=O)(=O)O.CS(=O)(=O)OCCN1CCCC1

nearest known ligand 0.42

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
LTA4H P09960 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HRH3 Q9Y5N1 3/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
KCNH2 Q12809 2/20 0.37
NPC1 O15118 1/20 0.37
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36
MAPT P10636 2/20 0.35

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
SCHEMBL2078423 0.94 KDM4E (0.46) LTA4HKDM4EALDH1A1USP2LMNA
SCHEMBL2077149 0.92 KDM4E (0.44) LTA4HCYP2D6MAPK1KDM4EALDH1A1
SCHEMBL2075399 0.92 KDM4E (0.44) LTA4HCYP2D6MAPK1KDM4EALDH1A1
SCHEMBL1573576 0.86 USP2 (0.50) LTA4HKDM4EALDH1A1USP2LMNA
SCHEMBL15884868 0.82 ALDH1A1 (0.54) CYP2D6KDM4EALDH1A1USP2LMNA
SCHEMBL6186091 0.81 KDM4E (0.52) MAPK1KDM4EALDH1A1USP2LMNA
SCHEMBL10868169 0.80 ALDH1A1 (0.44) LTA4HKDM4EALDH1A1USP2LMNA
SCHEMBL8327783 0.80 HRH3 (0.42) CYP2D6MAPK1KDM4EALDH1A1HRH3
SCHEMBL13187900 0.78 ALDH1A1 (0.43) LTA4HKDM4EALDH1A1USP2LMNA
SCHEMBL10554729 0.78 KDM4E (0.54) KDM4EALDH1A1USP2LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194153-A1 Synthesis of Sulfur Containing Ammonium and Phosphonium Borates GOTION INC (US) 2019-06-27 US claimed

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-20190194153-A1 Synthesis of Sulfur Containing Ammonium and Phosphonium Borates TST, SRPK2, SRPK1 LTA4H 4448/4885CYP2D6 3577/4885MAPK1 493/4885

“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.