SCHEMBL290131

SCHEMBL290131

CCOC(=O)C1O[CH]OC1C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 5/20 0.40
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 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
SCHEMBL2387688 0.78 TSHR (0.55) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL2387693 0.78 TSHR (0.55) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL11545787 0.78 TSHR (0.55) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL5317413 0.78 TSHR (0.55) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL2387697 0.78 TSHR (0.55) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL5556039 0.76 TSHR (0.53) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL13093840 0.74
SCHEMBL7196725 0.74
SCHEMBL7196724 0.74
SCHEMBL1171621 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 US disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
WO-2024074604-A1 COMPOUNDS FOR THE MANAGEMENT OF CELL STEMNESS AND INVASION IN CANCER AND RELATED DISEASES INSTITUTO BIOMAR, S.A (ES) 2024-04-11 WO disclosed
EP-4349409-A1 COMPOUNDS FOR THE MANAGEMENT OF CELL STEMNESS AND INVASION IN CANCER AND RELATED DISEASES Instituto Biomar S.A. (ES) 2024-04-10 EP disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 EP disclosed
EP-3615544-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 EP disclosed
EP-4101855-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
EP-2231633-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2010-09-29 EP disclosed
EP-2231695-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2010-09-29 EP disclosed
EP-2231590-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2010-09-29 EP disclosed
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2010-02-25 US disclosed
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-23 US disclosed
WO-2009080761-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 WO disclosed
WO-2009080769-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 WO disclosed
WO-2009077401-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-06-25 WO disclosed
EP-2032551-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-03-11 EP disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 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 (5 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-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS TSHR 4338/4885ALDH1A1 1692/4885PPM1B 3998/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL TSHR 1530/4885ALDH1A1 785/4885PPM1B 4115/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 TSHR 2507/4885ALDH1A1 69/4885PPM1B 2903/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 TSHR 4670/4885ALDH1A1 144/4885PPM1B 3258/4885
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS TSHR 4338/4885ALDH1A1 1692/4885PPM1B 3998/4885

“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.