SCHEMBL3364487

SCHEMBL3364487

CCN(C(=O)CF)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
GLA P06280 1/20 0.66
TSHR P16473 1/20 0.66
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
TP53 P04637 2/20 0.53
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.47
MLYCD O95822 1/20 0.47
HPGD P15428 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4757416 0.85 TP53 (0.64) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL2030599 0.84 ALDH1A1 (0.70) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL3837959 0.82 ALDH1A1 (0.68) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL308738 0.81 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL98220 0.81 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL7363268 0.81 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL9471517 0.81 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL5595921 0.81 TP53 (0.79) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL2032136 0.81 NPC1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL3138023 0.81 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212056-B1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES US GOV HEALTH & HUMAN SERV (US) 2005-12-07 EP claimed
EP-1212056-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES The Government of the United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2002-06-12 EP claimed
US-20020002144-A1 Methods and compositions for bisubstrate inhibitors of acetyltransferases THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2002-01-03 US claimed
WO-2001012185-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-02-22 WO claimed
US-20160058872-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2016-03-03 US disclosed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 US disclosed
EP-1212056-B1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES US GOV HEALTH & HUMAN SERV (US) 2005-12-07 EP disclosed
EP-1212056-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES The Government of the United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2002-06-12 EP disclosed
US-20020002144-A1 Methods and compositions for bisubstrate inhibitors of acetyltransferases THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2002-01-03 US disclosed
WO-2001012185-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-02-22 WO 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 (3 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 ALDH1A1 3128/4885GLA 4408/4885TSHR 367/4885
US-20160058872-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE CRBN, MDM2, UBE2N ALDH1A1 3412/4885GLA 2840/4885TSHR 3257/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK ALDH1A1 3330/4885GLA 4212/4885TSHR 351/4885

“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.