SCHEMBL1138563

SCHEMBL1138563

CB(O)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.62
▸ ORAI1 Q96D31 3/20 0.52
▸ ORAI2 Q96SN7 3/20 0.52
▸ ORAI3 Q9BRQ5 3/20 0.52
▸ TRPV6 Q9H1D0 3/20 0.52
▸ LMNA P02545 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ TSHR P16473 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CES2 O00748 2/20 0.36
▸ CES1 P23141 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ LPL P06858 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL24996834 0.85 CA2 (0.45) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL14309780 0.77 ENPP2 (0.52) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL15459223 0.77 CA2 (0.60) ENPP2TSHRCA2LPLLIPG
SCHEMBL1138482 0.77 TRPV6 (0.80) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL28166 0.77 ENPP2 (1.00) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL12330470 0.74 ENPP2 (0.60) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL27648777 0.74 ENPP2 (0.94) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL12212599 0.74 ORAI1 (0.65) ORAI1ORAI2ORAI3TRPV6LMNA
SCHEMBL1138738 0.74 ORAI1 (0.65) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL28117303 0.74 ENPP2 (0.94) ENPP2ORAI1ORAI2ORAI3TRPV6

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3369719-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-26 — — EP disclosed
EP-2796448-B1 Material for organic electronic device and organic electronic device using the same LG CHEMICAL LTD (KR) 2018-04-25 — — EP disclosed
US-20160354351-A1 SOLID STATE FORMS OF VEMURAFENIB HYDROCHLORIDE RATIOPHARM GMBH (DE) 2016-12-08 — — US disclosed
US-20160354351-A1 SOLID STATE FORMS OF VEMURAFENIB HYDROCHLORIDE RATIOPHARM GMBH (DE) 2016-12-08 — — US disclosed
US-9278946-B2 Small molecule catalyst for 5-hydroxymethylfurfural production from saccharides NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-03-08 — — US disclosed
US-20150166499-A1 SMALL MOLECULE CATALYST FOR 5-HYDROXYMETHYLFURFURAL PRODUCTION FROM SACCHARIDES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-06-18 — — US disclosed
EP-1765358-B1 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS INC (US) 2011-02-23 — — EP disclosed
US-7888356-B2 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2011-02-15 — — US disclosed
CN-101928295-A Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS INC 2010-12-29 — — CN disclosed
US-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 — — US disclosed
EP-1765360-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 — — EP disclosed
WO-2006085932-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-17 — — WO disclosed
CN-1738802-A Antibiotics containing boronic acid complexes and methods of use ANACOR PHARMACEUTICALS INC (US) 2006-02-22 — — CN disclosed
US-20060019927-A1 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-26 — — US disclosed
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-19 — — US disclosed
US-20060009422-A1 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. 2006-01-12 — — US disclosed
WO-2005123094-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 — — WO disclosed
WO-2005123095-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 — — WO disclosed
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2005-03-31 — — US disclosed
US-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2004-11-11 — — 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 (7 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-20150166499-A1 SMALL MOLECULE CATALYST FOR 5-HYDROXYMETHYLFURFURAL PRODUCTION FROM SACCHARIDES FBP1, UGDH, BLVRB ENPP2 2812/4885ORAI1 4775/4885ORAI2 4410/4885
US-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA ENPP2 986/4885ORAI1 2189/4885ORAI2 2748/4885
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 ENPP2 67/4885ORAI1 268/4885ORAI2 367/4885
US-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 ENPP2 1788/4885ORAI1 2751/4885ORAI2 3905/4885
US-20160354351-A1 SOLID STATE FORMS OF VEMURAFENIB HYDROCHLORIDE BRAF, PRPF19, PRPF8 ENPP2 4804/4885ORAI1 3655/4885ORAI2 4189/4885
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA ENPP2 986/4885ORAI1 2189/4885ORAI2 2748/4885
US-20060019927-A1 Anti-viral uses of borinic acid complexes SSB, BPGM, HAVCR2 ENPP2 420/4885ORAI1 1634/4885ORAI2 1925/4885

“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