SCHEMBL2483545

SCHEMBL2483545

COC(=O)c1ccc2c(c1)C(O)(CCCO)c1ccsc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PDK2 Q15119 3/20 0.40
CYP4A11 Q02928 4/20 0.39
CYP4F2 P78329 3/20 0.39
POLB P06746 1/20 0.37
PTPRC P08575 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HDAC1 Q13547 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
XDH P47989 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.33
KMT2A Q03164 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
EGFR P00533 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4910872 0.81 PDK2 (0.58) PDK2CYP4A11CYP4F2EGFR
SCHEMBL2484398 0.76 PTGS1 (0.43) PTGS1PDK2POLBPTPRCALDH1A1
SCHEMBL4918733 0.68 PDK2 (0.48) PDK2POLBPTPRCKMT2A
SCHEMBL2485238 0.68 AKR1C3 (0.34) PDK2POLBPTPRCALDH1A1
SCHEMBL2482619 0.66 AKR1C3 (0.38) PDK2POLBPTPRC
SCHEMBL12050162 0.65 HTT (0.39) PTGS1POLBALDH1A1CA12CA1
1,3-Propanediol SCHEMBL3049205 0.64 CYP4A11 (0.75) CYP4A11CYP4F2POLBALDH1A1CA12
1,4-Butanediol SCHEMBL2722579 0.64 CYP4A11 (0.79) CYP4A11CYP4F2POLBALDH1A1CA12
SCHEMBL6990696 0.63 PDK2 (0.56) PDK2PTPRCALDH1A1CA12CA1
SCHEMBL3799281 0.62 HDAC1 (0.55) PTGS1POLBALDH1A1HDAC1CA12

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 PTGS1 682/4885PDK2 4829/4885CYP4A11 2146/4885

“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.