SCHEMBL10101328

SCHEMBL10101328

C=CCOC(=O)N1CCC(C)=C(c2cnc(NC(C)=O)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.44
MAP3K5 Q99683 4/20 0.38
SLC6A15 Q9H2J7 1/20 0.33
OGA O60502 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
UBE2N P61088 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL10101324 0.71 KDM4E (0.43) MAP3K5OGAALDH1A1MAPT
SCHEMBL7920737 0.70 MAP3K5 (0.37) MAP3K5HDAC4HDAC6
SCHEMBL8232807 0.69 ERN1 (0.41) ERN1MAP3K5MAPT
SCHEMBL4999489 0.68 HDAC4 (0.35) HDAC4HDAC6
SCHEMBL986122 0.68 STIM1 (0.43) ERN1MAP3K5ALDH1A1
SCHEMBL1781405 0.67 IL2 (0.44) ERN1MAP3K5ALDH1A1MAPT
SCHEMBL16472062 0.66 HTR1F (0.41) CYP2C19ALDH1A1MAPT
SCHEMBL7924272 0.66 HDAC4 (0.40) HDAC4HDAC6
SCHEMBL9383271 0.64 ERN1 (0.49) ERN1MAP3K5SLC6A15
SCHEMBL26091050 0.64 ERN1 (0.44) ERN1MAP3K5SLC6A15ALDH1A1UBE2N

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 ERN1 3909/4885MAP3K5 1602/4885SLC6A15 4727/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP ERN1 3909/4885MAP3K5 1602/4885SLC6A15 4727/4885

“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.