SCHEMBL10292998

SCHEMBL10292998

CCS(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HSD11B1 P28845 1/20 0.47
SLC22A12 Q96S37 10/20 0.47
ALDH1A1 P00352 2/20 0.45
PSIP1 O75475 1/20 0.43
RAB9A P51151 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
SLC22A11 Q9NSA0 1/20 0.42
MMP7 P09237 1/20 0.41

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
SCHEMBL20714808 0.84 KMT2A (0.46) KMT2AMEN1HSD11B1SLC22A12ALDH1A1
SCHEMBL10179719 0.83 PSIP1 (0.46) KMT2AMEN1HSD11B1ALDH1A1PSIP1
SCHEMBL10181749 0.80 PSIP1 (0.43) KMT2AMEN1HSD11B1ALDH1A1PSIP1
SCHEMBL16019344 0.80 PSIP1 (0.43) KMT2AMEN1HSD11B1ALDH1A1PSIP1
SCHEMBL696558 0.79 MEN1 (0.49) KMT2AMEN1HSD11B1SLC22A12ALDH1A1
SCHEMBL8763365 0.79 MEN1 (0.49) KMT2AMEN1HSD11B1SLC22A12ALDH1A1
SCHEMBL1148926 0.79 MEN1 (0.49) KMT2AMEN1HSD11B1SLC22A12ALDH1A1
SCHEMBL515098 0.79 KMT2A (0.56) KMT2AMEN1HSD11B1SLC22A12ALDH1A1
SCHEMBL29874131 0.79 MEN1 (0.60) KMT2AMEN1HSD11B1SLC22A12ALDH1A1
SCHEMBL3625928 0.79 MEN1 (0.60) KMT2AMEN1HSD11B1SLC22A12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016172631-A2 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-10-27 WO disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US 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 (4 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 KMT2A 1961/4885MEN1 4135/4885HSD11B1 3320/4885
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KMT2A 1133/4885MEN1 1452/4885HSD11B1 2445/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA KMT2A 1656/4885MEN1 4630/4885HSD11B1 1208/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KMT2A 1133/4885MEN1 1452/4885HSD11B1 2445/4885

“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.