SCHEMBL10101260

SCHEMBL10101260

CCOC(=O)N1CCC(c2ccc(NC(=O)c3c(F)cccc3F)cc2)=C(CC)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 5/20 0.45
ABL1 P00519 1/20 0.43
POLB P06746 1/20 0.43
RIN1 Q13671 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
IL2 P60568 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
TRPA1 O75762 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
SCHEMBL614011 0.92 MAPT (0.42) ALDH1A1KDM4EGAAMAPTABL1
SCHEMBL10101256 0.92 IL2 (0.43) ALDH1A1KDM4EGAAMAPTIL2
SCHEMBL616262 0.91 MAPT (0.46) ALDH1A1KDM4EGAAMAPTABL1
SCHEMBL616370 0.89 MAPT (0.46) ALDH1A1KDM4EGAAMAPTABL1
SCHEMBL614008 0.87 MAPT (0.44) ALDH1A1KDM4EGAAMAPTABL1
SCHEMBL616644 0.83 IL2 (0.41) ALDH1A1KDM4EGAAMAPTIL2
SCHEMBL13119180 0.83 IL2 (0.43) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL614643 0.83 IL2 (0.44) ALDH1A1KDM4EGAAMAPTIL2
SCHEMBL987225 0.82 KDM4E (0.41) ALDH1A1KDM4EGAAMAPTABL1
SCHEMBL1781405 0.81 IL2 (0.44) ALDH1A1KDM4EGAAMAPTIL2

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 3 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-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

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 ALDH1A1 407/4885KDM4E 444/4885GAA 2374/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP ALDH1A1 407/4885KDM4E 444/4885GAA 2374/4885

“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.