SCHEMBL2482619

SCHEMBL2482619

CC1(O)c2cc(C(=O)O)ccc2-c2sccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
HTR7 P34969 2/20 0.38
HTR2B P41595 2/20 0.38
RARB P10826 5/20 0.38
RARG P13631 5/20 0.38
RARA P10276 4/20 0.38
CYP26A1 O43174 3/20 0.38
CYP26B1 Q9NR63 3/20 0.38
RXRA P19793 5/20 0.37
RXRB P28702 4/20 0.37
RXRG P48443 3/20 0.37
TDP2 O95551 2/20 0.37
SRD5A2 P31213 1/20 0.36
TTR P02766 1/20 0.36
PDK2 Q15119 1/20 0.35
PTPRC P08575 2/20 0.35
POLB P06746 1/20 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
SCHEMBL28842566 0.84 PDK2 (0.46) HTR7HTR2BRARBRARGRARA
SCHEMBL12050162 0.81 HTT (0.39) AKR1C3RARBRARGRARACYP26A1
SCHEMBL12050160 0.79 RXRA (0.42) AKR1C3RARBRARGRARACYP26A1
SCHEMBL30571998 0.76 PDK2 (0.55) HTR7HTR2BRARBRARGRXRA
SCHEMBL4915761 0.76 PDK2 (0.55) HTR7HTR2BRARBRARGRXRA
SCHEMBL2485238 0.75 AKR1C3 (0.34) AKR1C3TDP2SRD5A2TTRPDK2
SCHEMBL2487084 0.72 HTR7 (0.48) AKR1C3HTR7HTR2BRARBRARG
SCHEMBL21439836 0.71 RARB (0.46) RARBRARGRARACYP26A1CYP26B1
SCHEMBL29371850 0.71 RARB (0.46) RARBRARGRARACYP26A1CYP26B1
SCHEMBL2484398 0.71 PTGS1 (0.43) PDK2PTPRCPOLB

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 2271/4885HTR7 2/4885HTR2B 1/4885

“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.