SCHEMBL10101256

SCHEMBL10101256

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 4/20 0.43
ERN1 O75460 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAP3K5 Q99683 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
HTT P42858 1/20 0.36
NOD2 Q9HC29 1/20 0.36

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
SCHEMBL10101260 0.92 ALDH1A1 (0.45) IL2MAPTALDH1A1KDM4EGAA
SCHEMBL616644 0.91 IL2 (0.41) IL2ERN1MAPTALDH1A1KDM4E
SCHEMBL614643 0.90 IL2 (0.44) IL2ERN1MAPTALDH1A1KDM4E
SCHEMBL1781405 0.88 IL2 (0.44) IL2ERN1MAPTALDH1A1KDM4E
SCHEMBL614011 0.84 MAPT (0.42) IL2MAPTALDH1A1KDM4EGAA
SCHEMBL616262 0.83 MAPT (0.46) IL2MAPTALDH1A1KDM4EGAA
SCHEMBL616370 0.81 MAPT (0.46) IL2MAPTALDH1A1KDM4EGAA
SCHEMBL3689506 0.80 ERN1 (0.38) ERN1MAPTALDH1A1KDM4EGAA
SCHEMBL614008 0.79 MAPT (0.44) IL2MAPTALDH1A1KDM4EGAA
SCHEMBL13119180 0.79 IL2 (0.43) IL2MEN1KMT2ARAB9ANPC1

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 IL2 26/4885ERN1 3909/4885MAPT 3731/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP IL2 26/4885ERN1 3909/4885MAPT 3731/4885

“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.