SCHEMBL6409631

SCHEMBL6409631

Cc1cc(OS(C)(=O)=O)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
ALPL P05186 2/20 0.41
ALPI P09923 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
CA2 P00918 3/20 0.40
CA5A P35218 2/20 0.40
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
CHRNA3 P32297 1/20 0.38
PDIA6 Q15084 1/20 0.38

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
SCHEMBL6939170 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL14849958 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EGAAHPGDALPL
SCHEMBL8082103 0.78 MEN1 (0.55) ALDH1A1HPGDSMN1; SMN2MAPTCA2
SCHEMBL7247499 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL28030787 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL6905828 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL2296280 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL14511804 0.76 CA2 (0.41) ALDH1A1KDM4EGAAHPGDALPL
SCHEMBL11598923 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL9958775 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EGAAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
US-6413964-B1 14-AMINO-14-(1-METHYL-1H-IMIDAZOL-5-YL)-8-OXA-2-THIA-1,18 -DIAZATETRACYCLO(16.2.2.1(3,7).1(9,13))TETRACOSA-3(24),4,6, 9(23),10,12-HEXAENE-10-CARBONITRILE 2,2-DIOXIDE, FOR EXAMPLE; USE IN RADIOTHERAPY, CHEMOTHERAPY AS SENSITIZER MERCK & CO., INC. 2002-07-02 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
WO-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 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 (1 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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE HCN2, SCO2, HCN1 ALDH1A1 1059/4885KDM4E 1067/4885GAA 3610/4885

“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.