SCHEMBL2485238

SCHEMBL2485238

C=CCC1(O)c2cc(C(=O)O)ccc2-c2sccc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.34
TDP2 O95551 2/20 0.33
HCAR3 P49019 2/20 0.32
SRD5A2 P31213 1/20 0.32
TTR P02766 3/20 0.32
PDK2 Q15119 1/20 0.32
PKM P14618 1/20 0.32
TBXA2R P21731 1/20 0.31
PTGER1 P34995 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
PTPRC P08575 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
PARP1 P09874 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL2482619 0.75 AKR1C3 (0.38) AKR1C3TDP2SRD5A2TTRPDK2
SCHEMBL12050160 0.70 RXRA (0.42) AKR1C3TDP2SRD5A2TTRALDH1A1
SCHEMBL12050162 0.69 HTT (0.39) AKR1C3TDP2SRD5A2TTRALDH1A1
SCHEMBL2487084 0.66 HTR7 (0.48) AKR1C3TDP2SRD5A2ALDH1A1
SCHEMBL5846588 0.61 TSHR (0.50) TDP2SRD5A2TTRPDK2ALDH1A1
SCHEMBL24573355 0.61 PTPRC (0.57) AKR1C3TTRALDH1A1L3MBTL1POLB
SCHEMBL12050156 0.61 PTPRC (0.57) AKR1C3TTRALDH1A1L3MBTL1POLB
SCHEMBL2481251 0.61 TTR (0.59) AKR1C3TTRALDH1A1L3MBTL1POLB
SCHEMBL28842566 0.61 PDK2 (0.46) SRD5A2TTRPDK2L3MBTL1POLB
SCHEMBL6843709 0.59 TSHR (0.47) TDP2SRD5A2TTRPDK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 EP disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 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-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B AKR1C3 2271/4885TDP2 3291/4885HCAR3 65/4885

“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.