SCHEMBL169273

SCHEMBL169273

CC(C)C(=O)Nc1cc2c(c(-c3ccccc3Cl)c1)CCN(C(=O)C(F)(F)F)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
ABHD6 Q9BV23 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.37
TYRO3 Q06418 3/20 0.37
MERTK Q12866 3/20 0.37
AXL P30530 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
THRB P10828 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
SCHEMBL3524858 0.90 PDK2 (0.42) PDK2ESR1ESR2ABHD6KMT2A
SCHEMBL169287 0.89 NOTUM (0.42) PDK2KDM4ERECQLPOLBAXL
SCHEMBL16104413 0.87 RAB9A (0.42) PDK2KDM4ERECQLPOLBKMT2A
SCHEMBL2129261 0.86 ITGB2 (0.42) SMN1; SMN2MAPTLMNAGAA
SCHEMBL13076550 0.84 TMPRSS2 (0.46) ESR1ESR2KMT2ANPC1RAB9A
SCHEMBL3435000 0.84 ESR1 (0.44) ESR1ESR2ABHD6RECQLTYRO3
SCHEMBL3434989 0.84 NAMPT (0.45) ESR1ESR2KDM4ETYRO3MERTK
SCHEMBL3433724 0.83 NPY2R (0.42) ESR1ESR2KDM4EKMT2A
SCHEMBL16104437 0.83 ESR1 (0.38) ESR1ESR2ABHD6KDM4EPOLB
SCHEMBL176110 0.80 ESR1 (0.47) ESR1ESR2ABHD6TYRO3MERTK

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-2424532-B1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-09-24 EP disclosed
EP-2424532-B1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-09-24 EP disclosed
US-8716302-B2 Compounds for inducing cellular apoptosis QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-05-06 US disclosed
US-8716302-B2 Compounds for inducing cellular apoptosis QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-05-06 US disclosed
US-8716302-B2 Compounds for inducing cellular apoptosis QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-05-06 US disclosed
US-20120101115-A1 Compounds For Inducing Cellular Apoptosis QUEEN MARY AND WESTFIELD COLLEGE (GB) 2012-04-26 US disclosed
US-20120101115-A1 Compounds For Inducing Cellular Apoptosis QUEEN MARY AND WESTFIELD COLLEGE (GB) 2012-04-26 US disclosed
US-20120101115-A1 Compounds For Inducing Cellular Apoptosis QUEEN MARY AND WESTFIELD COLLEGE (GB) 2012-04-26 US disclosed
EP-2424532-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS Queen Mary and Westfield College (GB) 2012-03-07 EP disclosed
WO-2010125343-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2010-11-04 WO disclosed
WO-2010125343-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2010-11-04 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 (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-20120101115-A1 Compounds For Inducing Cellular Apoptosis BAD, BAX, CASP3 PDK2 437/4885ESR1 3474/4885ESR2 2946/4885

“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.