SCHEMBL874912

SCHEMBL874912

CSCOCCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.46
TSHR P16473 6/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
AKR1B1 P15121 1/20 0.43
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
PTPN1 P18031 3/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 2/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL39777 0.98 ALDH1A1 (0.55) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL114655 0.94 TSHR (0.48) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL24370755 0.83 GAA (0.35) ALDH1A1MEN1KMT2A
SCHEMBL8812313 0.80 DGKA (0.38) ALDH1A1LMNATSHR
SCHEMBL446542 0.79 LMNA (0.65) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL7748806 0.77 TSHR (0.67) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL6899202 0.77 TSHR (0.67) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL9661395 0.77 TSHR (0.67) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL21357404 0.77 TSHR (0.67) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL6367297 0.77 TSHR (0.67) ALDH1A1LMNATSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279248-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF MELINTA SUBSIDIARY CORP. 2024-08-22 US disclosed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 CN disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
CN-116199658-A Synthesis method and application of modified long-chain fatty acid type PET reagent precursor 北京先通国际医药科技股份有限公司 2023-06-02 CN disclosed
CN-116041169-A Process route for synthesizing key intermediate of modified fatty acid type PET reagent precursor and application thereof 北京先通国际医药科技股份有限公司 2023-05-02 CN disclosed
CN-115141125-B Synthesis method and application of modified long-chain fatty acid type PET reagent precursor 北京先通国际医药科技股份有限公司 2023-04-28 CN disclosed
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF MELINTA SUBSIDIARY CORP. 2020-10-01 US disclosed
EP-3704130-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF Melinta Therapeutics, Inc. (US) 2020-09-09 EP disclosed
EP-3604316-A1 SYNTHESIS OF BORONATE SALTS Rempex Pharmaceuticals, Inc. (US) 2020-02-05 EP disclosed
US-20200031851-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF MELINTA SUBSIDIARY CORP. 2020-01-30 US disclosed
US-10385074-B2 Synthesis of boronate salts and uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2019-08-20 US disclosed
EP-3140310-B1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2019-08-07 EP disclosed
US-20190127396-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF CORTLAND CAPITAL MARKET SERVICES LLC, AS AGENT 2019-05-02 US disclosed
EP-3140310-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2017-03-15 EP disclosed
US-20170057979-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF MELINTA SUBSIDIARY CORP. 2017-03-02 US disclosed
WO-2015171430-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2015-11-12 WO disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 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 (8 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP ALDH1A1 1706/4885LMNA 947/4885TSHR 4451/4885
US-20200031851-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF BTD, BCL6B, BRI3BP ALDH1A1 3175/4885LMNA 2796/4885TSHR 3061/4885
US-20170057979-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF BTD, BCL6B, BRI3BP ALDH1A1 3175/4885LMNA 2796/4885TSHR 3061/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 ALDH1A1 69/4885LMNA 4411/4885TSHR 2507/4885
US-20240279248-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF ADH5, ADH1A, ADH7 ALDH1A1 69/4885LMNA 4411/4885TSHR 2507/4885
US-10385074-B2 Synthesis of boronate salts and uses thereof BTD, BCL6B, BRI3BP ALDH1A1 3175/4885LMNA 2796/4885TSHR 3061/4885
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF ADH5, ADH1A, ADH7 ALDH1A1 69/4885LMNA 4411/4885TSHR 2507/4885
US-20190127396-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF ADH5, ADH1A, ADH7 ALDH1A1 69/4885LMNA 4411/4885TSHR 2507/4885

“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.