SCHEMBL622104

SCHEMBL622104

CS(=O)(=O)C(=Cc1ccccc1)CO[C]=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 2/20 0.37
PTGS2 P35354 2/20 0.36
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.35
CMA1 P23946 1/20 0.35
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
FBP1 P09467 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL622103 1.00 MEN1 (0.38) MEN1KMT2AAKR1C3PTGS2NR1I2
SCHEMBL668642 0.79 ALDH1A1 (0.41) MEN1KMT2AAKR1C3PTGS2NR1I2
SCHEMBL13434047 0.78 MEN1 (0.45) MEN1KMT2AAKR1C3ALDH1A1TSHR
SCHEMBL20546494 0.77 MEN1 (0.44) MEN1KMT2AAKR1C3PTGS2ALDH1A1
SCHEMBL20546495 0.77 MEN1 (0.44) MEN1KMT2AAKR1C3PTGS2ALDH1A1
SCHEMBL9178174 0.77 MEN1 (0.44) MEN1KMT2AAKR1C3PTGS2NR1I2
SCHEMBL9178170 0.77 MEN1 (0.44) MEN1KMT2AAKR1C3PTGS2NR1I2
SCHEMBL18316538 0.76 AKR1C3 (0.42) MEN1KMT2AAKR1C3PTGS2NR1I2
SCHEMBL9180013 0.76 AKR1C3 (0.42) MEN1KMT2AAKR1C3PTGS2NR1I2
SCHEMBL18316537 0.76 AKR1C3 (0.42) MEN1KMT2AAKR1C3PTGS2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 US disclosed
US-20150183818-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-02 US disclosed
EP-2870169-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS Bristol-Myers Squibb Company (US) 2015-05-13 EP disclosed
WO-2014008236-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-09 WO disclosed
WO-2013115813-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM CORPORATION (US) 2013-08-08 WO disclosed
EP-2606060-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM Corporation (US) 2013-06-26 EP disclosed
CN-103140497-A Water soluble solid phase peptide synthesis CEM CORP 2013-06-05 CN disclosed
US-20120157563-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM CORPORATION (US) 2012-06-21 US disclosed
WO-2012024224-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM CORPORATION (US) 2012-02-23 WO disclosed
US-20120041173-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM CORPORATION (US) 2012-02-16 US disclosed
EP-0496836-B1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RES CORP TECHNOLOGIES INC (US) 1995-06-14 EP disclosed
EP-0496836-A4 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS 1993-05-05 EP disclosed
EP-0496836-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS. RES CORP TECHNOLOGIES INC (US) 1992-08-05 EP disclosed
WO-1991005564-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-05-02 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-20150183818-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS SAMHD1, TYMP, PNP MEN1 954/4885KMT2A 3681/4885AKR1C3 1727/4885
US-20120157563-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS SPAST, DNPEP, SSU72 MEN1 4026/4885KMT2A 4018/4885AKR1C3 3061/4885
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC MEN1 933/4885KMT2A 3176/4885AKR1C3 1748/4885
US-20120041173-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS ADH1C, SSU72, ADH1A MEN1 4170/4885KMT2A 4059/4885AKR1C3 1917/4885

“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.