SCHEMBL5585722

SCHEMBL5585722

CN(Cc1ccc(C2CCCCC2)cc1)c1ccc(-c2csc(N(C)Cc3ccc(C(=O)O)cc3)n2)cc1.CS(=O)(=O)O

nearest known ligand 0.41

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 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.41
GIPR P48546 6/20 0.41
STAT3 P40763 5/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
STAT1 P42224 1/20 0.39
STAT5B P51692 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CPB1 P15086 1/20 0.39
MRE11 P49959 1/20 0.39
AVPR1B P47901 1/20 0.37

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
Sulfuric Acid SCHEMBL5585551 0.97 RXRA (0.40) GCGRGIPRSTAT3RXRARXRB
SCHEMBL5585392 0.96 RXRA (0.42) GCGRGIPRSTAT3RXRARXRB
SCHEMBL6000638 0.96 RXRA (0.42) GCGRGIPRSTAT3RXRARXRB
SCHEMBL5585528 0.95 RXRA (0.41) GCGRGIPRSTAT3RXRARXRB
Hydrochloric Acid SCHEMBL5585448 0.95 RXRA (0.41) GCGRGIPRSTAT3RXRARXRB
SCHEMBL5585241 0.95 RXRA (0.41) GCGRGIPRSTAT3RXRARXRB
SCHEMBL5585463 0.95 RXRA (0.43) GCGRGIPRRXRARXRBRXRG
SCHEMBL5585692 0.92 MEN1 (0.42) GCGRGIPRSTAT3STAT1STAT5B
Tromethamine SCHEMBL5585604 0.91 GCGR (0.40) GCGRGIPRRXRARXRBRXRG
SCHEMBL5585767 0.91 RAB9A (0.43) GCGRGIPRRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 GCGR 317/4885GIPR 195/4885STAT3 997/4885

“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.