SCHEMBL1827209

SCHEMBL1827209

COc1ccc(OC)c(-c2ccc(NC(=O)c3snnc3C)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 2/20 0.56
▸ STIM1 Q13586 1/20 0.56
▸ LMNA P02545 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 3/20 0.49
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PLAU P00749 1/20 0.47
▸ ABL1 P00519 2/20 0.46
▸ TRPC3 Q13507 1/20 0.45
▸ TRPC5 Q9UL62 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ CRACR2A Q9BSW2 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL16363177 0.88 LMNA (0.52) ORAI1STIM1LMNAALDH1A1MAPT
SCHEMBL1828387 0.88 LMNA (0.52) ORAI1STIM1LMNAALDH1A1MAPT
SCHEMBL2787427 0.84 STIM1 (0.48) ORAI1STIM1ALDH1A1MAPTGAA
SCHEMBL8263207 0.83 IMPDH2 (0.48) ORAI1STIM1LMNAALDH1A1NPC1
SCHEMBL6127884 0.81 IL2 (0.54) LMNAALDH1A1
SCHEMBL7972108 0.79 LMNA (0.84) ORAI1LMNAALDH1A1GAANPC1
SCHEMBL8260166 0.79 ALDH1A1 (0.47) LMNAALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1827870 0.78 POLB (0.53) ORAI1LMNAALDH1A1MAPTGAA
SCHEMBL8299313 0.77 LMNA (0.49) ORAI1LMNAALDH1A1GAANPC1
SCHEMBL5033859 0.77 LMNA (0.54) ORAI1LMNAALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 — — US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 — — US disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 — — EP disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 — — EP disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 — — WO disclosed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 — — 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 (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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 ORAI1 1379/4885STIM1 2320/4885LMNA 1685/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 ORAI1 1379/4885STIM1 2320/4885LMNA 1685/4885

“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.

Send feedback