SCHEMBL1828476

SCHEMBL1828476

O=C(Nc1ccc(-c2cc(Cl)ccc2OC(F)F)cc1)c1ccncc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.63
▸ ORAI1 Q96D31 2/20 0.63
▸ KCNMA1 Q12791 2/20 0.52
▸ F11 P03951 1/20 0.51
▸ LCLAT1 Q6UWP7 1/20 0.49
▸ CYP11B2 P19099 1/20 0.48
▸ JAK2 O60674 8/20 0.47
▸ JAK1 P23458 8/20 0.47
▸ TYK2 P29597 6/20 0.47
▸ JAK3 P52333 4/20 0.47
▸ LRRK2 Q5S007 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ MET P08581 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1823693 0.88 ORAI1 (0.81) STIM1ORAI1KCNMA1LCLAT1CYP11B2
SCHEMBL2785271 0.85 F11 (0.50) STIM1ORAI1KCNMA1F11LCLAT1
SCHEMBL1829334 0.77 ORAI1 (1.00) STIM1ORAI1KCNMA1JAK2TYK2
SCHEMBL29706899 0.77 ORAI1 (1.00) STIM1ORAI1KCNMA1JAK2TYK2
SCHEMBL4761818 0.77 ORAI1 (0.65) STIM1ORAI1KCNMA1CYP11B2JAK2
SCHEMBL1825942 0.76 KCNMA1 (0.64) STIM1ORAI1KCNMA1CYP11B2JAK2
SCHEMBL16363185 0.76 ORAI1 (0.78) STIM1ORAI1KCNMA1ALDH1A1MAPT
SCHEMBL1825361 0.73 KCNMA1 (0.52) STIM1ORAI1KCNMA1LCLAT1CYP11B2
SCHEMBL3809188 0.73 STIM1 (0.62) STIM1ORAI1TYK2ALDH1A1NPC1
SCHEMBL1827870 0.73 POLB (0.53) ORAI1F11JAK2JAK1TYK2

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 7 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-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
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-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 STIM1 2320/4885ORAI1 1379/4885KCNMA1 2604/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 STIM1 2320/4885ORAI1 1379/4885KCNMA1 2604/4885

“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.

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