SCHEMBL984629

SCHEMBL984629

CC(=O)C1CCC(C)=C(c2ccc(NC(=O)c3ccncc3C)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.40
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPT P10636 2/20 0.35
ABL1 P00519 2/20 0.35
GSK3B P49841 1/20 0.35
CRACR2A Q9BSW2 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
STAT1 P42224 1/20 0.34
ADRB3 P13945 1/20 0.34
ALDH1A1 P00352 1/20 0.33
IKBKE Q14164 1/20 0.33

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
SCHEMBL984631 1.00 TYK2 (0.40) TYK2LMNAL3MBTL1SMN1; SMN2STIM1
SCHEMBL985976 0.92 TYK2 (0.39) TYK2LMNAL3MBTL1SMN1; SMN2STIM1
SCHEMBL987299 0.92 TYK2 (0.39) TYK2LMNAL3MBTL1SMN1; SMN2STIM1
SCHEMBL985977 0.92 TYK2 (0.39) TYK2LMNAL3MBTL1SMN1; SMN2STIM1
SCHEMBL984220 0.82 STIM1 (0.46) LMNAL3MBTL1SMN1; SMN2STIM1ORAI1
SCHEMBL984221 0.82 STIM1 (0.46) LMNAL3MBTL1SMN1; SMN2STIM1ORAI1
SCHEMBL988901 0.81 TYK2 (0.36) TYK2LMNAL3MBTL1STIM1ORAI1
SCHEMBL8226953 0.81 TYK2 (0.36) TYK2LMNAL3MBTL1STIM1ORAI1
SCHEMBL12949243 0.81 TYK2 (0.36) TYK2LMNAL3MBTL1STIM1ORAI1
SCHEMBL988900 0.81 TYK2 (0.36) TYK2LMNAL3MBTL1STIM1ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-09-04 US claimed
EP-1984337-B1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-30 EP claimed
US-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-01-20 US claimed
EP-1984337-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US claimed
WO-2007087443-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-09-04 US disclosed
US-8729069-B2 Tetrahydropyridine, tetrahydroazepine, and dihydropyrrole derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-05-20 US disclosed
EP-1984337-B1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-30 EP disclosed
US-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-01-20 US disclosed
US-7816535-B2 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-10-19 US disclosed
EP-1984337-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
WO-2007087443-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (3 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 TYK2 784/4885LMNA 3822/4885L3MBTL1 1338/4885
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 TYK2 784/4885LMNA 3822/4885L3MBTL1 1338/4885
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders IL4, IL5, IL2 TYK2 801/4885LMNA 2795/4885L3MBTL1 937/4885

“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.