SCHEMBL986121

SCHEMBL986121

C=CCOC(=O)C1NCCC(C)=C1c1ccc(NC(=O)c2ccncc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.43
ORAI1 Q96D31 2/20 0.43
CRACR2A Q9BSW2 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TRPC1 P48995 1/20 0.35
TRPC3 Q13507 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
NAMPT P43490 1/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
AXL P30530 3/20 0.32
MERTK Q12866 1/20 0.32
MLLT1 Q03111 1/20 0.32

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
SCHEMBL986122 0.76 STIM1 (0.43) STIM1ORAI1CRACR2AL3MBTL1TRPC1
SCHEMBL3817129 0.75 STIM1 (0.42) STIM1ORAI1CRACR2AL3MBTL1TRPC1
SCHEMBL3554294 0.73 STIM1 (0.49) STIM1ORAI1CRACR2AL3MBTL1TRPC1
SCHEMBL985021 0.69 STIM1 (0.53) STIM1ORAI1CRACR2AL3MBTL1TRPC1
SCHEMBL984423 0.68 STIM1 (0.55) STIM1ORAI1CRACR2AL3MBTL1TRPC1
SCHEMBL18027793 0.67 STIM1 (0.57) STIM1ORAI1CRACR2AL3MBTL1TRPC1
SCHEMBL8232807 0.67 ERN1 (0.41) L3MBTL1LMNANAMPTPOLBABL1
SCHEMBL14117304 0.66 STIM1 (0.48) STIM1ORAI1CRACR2AL3MBTL1TRPC1
SCHEMBL986498 0.66 STIM1 (0.50) STIM1ORAI1CRACR2AL3MBTL1TRPC1
SCHEMBL984220 0.66 STIM1 (0.46) STIM1ORAI1CRACR2AL3MBTL1TRPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729069-B2 Tetrahydropyridine, tetrahydroazepine, and dihydropyrrole derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-05-20 US disclosed
US-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-01-20 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 (1 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-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 STIM1 1607/4885ORAI1 1772/4885CRACR2A 4029/4885

“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.