SCHEMBL5956735

SCHEMBL5956735

COC(=O)c1cc2c(cc1SC)[C@@H](N)CCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 5/20 0.47
TSHR P16473 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CFTR P13569 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
HSD17B10 Q99714 3/20 0.31
HPGD P15428 1/20 0.31
SYK P43405 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL5956510 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL5956464 0.90 KDM4E (0.47) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL5956790 0.90 KDM4E (0.47) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL5956631 0.89 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2ACFTR
SCHEMBL5956893 0.89 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2ACFTR
SCHEMBL5956855 0.86 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL5956471 0.86 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL5956752 0.78 KDM4E (0.38) ALDH1A1KDM4EGAAMAPK1
SCHEMBL5956538 0.78 KDM4E (0.38) ALDH1A1KDM4EGAAMAPK1
SCHEMBL13131188 0.77 CFTR (0.50) ALDH1A1KDM4EMEN1KMT2ACFTR

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
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 ALDH1A1 2624/4885KDM4E 1686/4885TSHR 1443/4885

“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.