SCHEMBL7141172

SCHEMBL7141172

CCOC(=O)c1cccc(N)c1CS(=O)(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.62
▸ ALDH1A1 P00352 5/20 0.62
▸ TSHR P16473 3/20 0.53
▸ CDC25B P30305 4/20 0.50
▸ MAPT P10636 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ LMNA P02545 2/20 0.42

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
SCHEMBL6001659 0.84 ALDH1A1 (0.70) HSD17B10ALDH1A1TSHRCDC25BMAPT
SCHEMBL17194998 0.83 ALDH1A1 (0.68) HSD17B10ALDH1A1TSHRCDC25BMAPT
Ethyl Anthranilate SCHEMBL28379679 0.80 HSD17B10 (0.84) HSD17B10ALDH1A1TSHRCDC25BKMT2A
SCHEMBL16401931 0.78 HSD17B10 (0.60) HSD17B10ALDH1A1TSHRCDC25BMAPT
SCHEMBL2925689 0.78 ALDH1A1 (0.74) HSD17B10ALDH1A1TSHRCDC25BMAPT
SCHEMBL717606 0.78 ALDH1A1 (0.74) HSD17B10ALDH1A1TSHRCDC25BMAPT
Ethyl Anthranilate SCHEMBL30055126 0.77 ALDH1A1 (1.00) HSD17B10ALDH1A1TSHRCDC25BMAPT
Ethyl Anthranilate SCHEMBL34474 0.77 ALDH1A1 (1.00) HSD17B10ALDH1A1TSHRCDC25BMAPT
SCHEMBL2894636 0.76 ALDH1A1 (0.72) HSD17B10ALDH1A1TSHRCDC25BMAPT
SCHEMBL177310 0.76 ALDH1A1 (0.72) HSD17B10ALDH1A1TSHRCDC25BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2786153-B1 ISOTOPIC LABELING OF HIGHER ORGANISMS SILANTES GMBH (DE) 2019-01-09 — — EP disclosed
US-20140328760-A1 ISOTOPIC LABELING OF HIGHER ORGANISMS SILANTES GMBH (DE) 2014-11-06 — — US disclosed
EP-2786153-A1 ISOTOPIC LABELING OF HIGHER ORGANISMS Silantes GmbH (DE) 2014-10-08 — — EP disclosed
WO-2013079558-A1 ISOTOPIC LABELING OF HIGHER ORGANISMS SILANTES GMBH (DE) 2013-06-06 — — WO disclosed
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 — — US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — 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-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP HSD17B10 799/4885ALDH1A1 767/4885TSHR 2814/4885

“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.

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