SCHEMBL857034

SCHEMBL857034

CC1=[N+](CCCCS(=O)(=O)O)c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCCS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADRB1 P08588 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
CNR1 P21554 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31
SLC6A2 P23975 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2C P28335 1/20 0.31
BDKRB2 P30411 1/20 0.31
ADORA1 P30542 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL3242102 0.94 LMNA (0.31) PTPN1LMNATDP1
SCHEMBL137086 0.94 LMNA (0.31) PTPN1LMNATDP1
SCHEMBL3242091 0.93 LMNA (0.30) LMNATDP1
SCHEMBL2065361 0.92 ALDH1A1 (0.31) PTPN1TBXA2R
SCHEMBL8116380 0.92 PTPN1 (0.33) PTPN1
SCHEMBL2064627 0.91 LMNA (0.38) LMNATDP1
SCHEMBL45521 0.90 LMNA (0.33) LMNATDP1
SCHEMBL2919493 0.88 ALDH1A1 (0.32)
SCHEMBL3239950 0.88 ALDH1A1 (0.32)
SCHEMBL3239936 0.87 ALDH1A1 (0.32)

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-3773750-B1 FORMULATION AND METHOD OF PREPARATION GE HEALTHCARE AS (NO) 2022-04-20 EP disclosed
US-20210046195-A1 FORMULATION AND METHOD OF PREPARATION GE HEALTHCARE AS (NO) 2021-02-18 US disclosed
US-8529874-B2 Peptide imaging agents GE HEALTHCARE AS (NO) 2013-09-10 US disclosed
EP-2146749-B1 LABELLED HGF BINDING PEPTIDES FOR IMAGING GE HEALTHCARE AS (NO) 2012-03-28 EP disclosed
US-20110268660-A1 METHOD FOR DETECTING DYSPLASIA GE HEALTHCARE AS (NO) 2011-11-03 US disclosed
US-20100303727-A1 OPTICAL IMAGING AGENTS GE HEALTHCARE AS (NO) 2010-12-02 US disclosed
US-20100150843-A1 PEPTIDE IMAGING AGENTS GE HEALTHCARE AS (NO) 2010-06-17 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 (4 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-20210046195-A1 FORMULATION AND METHOD OF PREPARATION IAPP, LPXN, KIT PTPN1 1030/4885MLNR 50/4885NR1I2 4593/4885
US-20100303727-A1 OPTICAL IMAGING AGENTS MSN, SIGLEC7, FABP7 PTPN1 741/4885MLNR 216/4885NR1I2 1954/4885
US-20100150843-A1 PEPTIDE IMAGING AGENTS VIP, RXFP1, GRPR PTPN1 4414/4885MLNR 10/4885NR1I2 905/4885
US-20110268660-A1 METHOD FOR DETECTING DYSPLASIA EGFR, ERBB2, ERBB3 PTPN1 2975/4885MLNR 58/4885NR1I2 1193/4885

“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.