SCHEMBL10101309

SCHEMBL10101309

CC(=O)OCC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NOD1 Q9Y239 5/20 0.42
TNF P01375 4/20 0.42
NOD2 Q9HC29 4/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.41
ABCB1 P08183 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL14432694 0.89 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL10101310 0.87 SMN1; SMN2 (0.53) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL986997 0.84 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL616653 0.82 CHRM5 (0.54) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL986835 0.82 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL614011 0.82 MAPT (0.42) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL10101316 0.81 SMN1; SMN2 (0.55) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL14093295 0.81 MEN1 (0.51) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL3825106 0.81 SMN1; SMN2 (0.54) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL616644 0.79 IL2 (0.41) MAPTSMN1; SMN2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 US disclosed
WO-2009017831-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 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 (2 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-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP MAPT 3731/4885SMN1; SMN2 4741/4885MEN1 4794/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP MAPT 3731/4885SMN1; SMN2 4741/4885MEN1 4794/4885

“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.