SCHEMBL6607384

SCHEMBL6607384

OB(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.86
TRPV6 Q9H1D0 2/20 0.64
ORAI1 Q96D31 1/20 0.64
ORAI2 Q96SN7 1/20 0.64
ORAI3 Q9BRQ5 1/20 0.64
KIF11 P52732 10/20 0.58
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54

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
SCHEMBL4179 0.93 MGLL (1.00) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL28950359 0.85 MGLL (0.63) MGLLTRPV6ORAI1ORAI2ORAI3
Alcohol SCHEMBL29154486 0.83 MGLL (0.79) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL25413876 0.83 MGLL (0.79) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL213337 0.81 CA2 (0.58) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL14165310 0.81 MGLL (0.76) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29952487 0.81 MGLL (0.65) MGLLKIF11CA1CA2
SCHEMBL13667445 0.80 CA2 (0.78) MGLLCA1CA2
SCHEMBL197238 0.80 KIF11 (0.78) TRPV6ORAI1ORAI2ORAI3KIF11
SCHEMBL13410633 0.80 KIF11 (0.78) TRPV6ORAI1ORAI2ORAI3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611947-A Chiral phosphoric acid catalyst and synthesis method thereof 上海泰坦科技股份有限公司 2023-01-17 CN claimed
CN-115611947-B Chiral phosphoric acid catalyst and synthesis method thereof 上海泰坦科技股份有限公司 2023-05-26 CN disclosed
CN-115611947-A Chiral phosphoric acid catalyst and synthesis method thereof 上海泰坦科技股份有限公司 2023-01-17 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-112538056-B Electron transport material and organic electroluminescent device containing same 南京高光半导体材料有限公司 2022-06-28 CN disclosed
CN-112538056-A Electron transport material and organic electroluminescent device containing same 南京高光半导体材料有限公司 2021-03-23 CN disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 WO disclosed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 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 (4 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MGLL 1183/4885TRPV6 902/4885ORAI1 1169/4885
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 MGLL 2688/4885TRPV6 3432/4885ORAI1 4391/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MGLL 1183/4885TRPV6 902/4885ORAI1 1169/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MGLL 979/4885TRPV6 899/4885ORAI1 958/4885

“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.