SCHEMBL13159078

SCHEMBL13159078

COC(=O)c1cccc(OC)c1S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ LMNA P02545 1/20 0.48
▸ SLC6A4 P31645 1/20 0.47
▸ CTSD P07339 1/20 0.47
▸ CFTR P13569 1/20 0.47
▸ KCNK3 O14649 1/20 0.46
▸ KCNK9 Q9NPC2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46

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
SCHEMBL8511492 0.86 TSHR (0.57) HSD17B10MAPTTSHRKDM4EALDH1A1
SCHEMBL2954090 0.83 HTT (0.58) HSD17B10MAPTTSHRMAPK1KDM4E
SCHEMBL18315876 0.81 TSHR (0.56) GAAHSD17B10MAPTTSHRMAPK1
Methyl 2-Methoxybenzoate SCHEMBL196037 0.80 TSHR (0.69) GAAHSD17B10MAPTTSHRMAPK1
Methyl 2-Methoxybenzoate SCHEMBL29702077 0.80 TSHR (0.69) GAAHSD17B10MAPTTSHRMAPK1
SCHEMBL13159071 0.79 TSHR (0.50) GAAHSD17B10MAPTTSHRKDM4E
SCHEMBL3796962 0.79 GAA (0.54) GAAHSD17B10MAPTTSHRMAPK1
SCHEMBL383371 0.79 CA12 (0.57) GAAHSD17B10MAPTTSHRMAPK1
Methyl 2-Hydroxy-3-Methoxybenzoate SCHEMBL1339162 0.79 TAS1R3 (0.56) GAAHSD17B10MAPTTSHRMAPK1
Methyl 2,3-Dimethoxybenzoate SCHEMBL311487 0.79 GAA (0.66) GAAHSD17B10MAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 — — US disclosed
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 — — US disclosed
EP-2208728-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 -HYDROXYSTEROID DEHYDROGENASE Institute Of Medicinal Molecular Design, Inc. (JP) 2010-07-21 — — EP 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-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 GAA 2755/4885HSD17B10 13/4885MAPT 4744/4885

“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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