SCHEMBL12746152

SCHEMBL12746152

O=C1CS(=O)(=O)c2ccc(-c3ccc(CO)cc3Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.38
▸ VEGFA P15692 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ CSNK2A1 P68400 2/20 0.35
▸ PRKAB2 O43741 2/20 0.33
▸ PRKAG1 P54619 2/20 0.33
▸ PRKAA2 P54646 2/20 0.33
▸ PRKAA1 Q13131 2/20 0.33
▸ PRKAG3 Q9UGI9 2/20 0.33
▸ PRKAG2 Q9UGJ0 2/20 0.33
▸ PRKAB1 Q9Y478 2/20 0.33
▸ ABL1 P00519 2/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.31
▸ SOAT1 P35610 1/20 0.31
▸ MARS1 P56192 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ PRF1 P14222 1/20 0.30

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
SCHEMBL12746146 0.84 VEGFA (0.43) VEGFACHEK1PDCD1CD274ABL1
SCHEMBL19602383 0.83 VEGFA (0.47) VEGFACHEK1
SCHEMBL12746151 0.82 AHR (0.45) VEGFACHEK1PRKAA1MARS1SRD5A2
SCHEMBL12746157 0.81 VEGFA (0.38) DGAT1VEGFACHEK1SOAT1ESR1
SCHEMBL12746150 0.80 VEGFA (0.40) DGAT1VEGFANPC1HPGDRAB9A
SCHEMBL12745930 0.77 CHEK1 (0.51) DGAT1CHEK1CSNK2A1PRKAB2PRKAG1
SCHEMBL12746154 0.72 VEGFA (0.40) VEGFA
SCHEMBL12746155 0.71 VEGFA (0.37) VEGFAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21032160 0.69 VEGFA (0.50) VEGFACHEK1PRKAA1HPGD
SCHEMBL6058567 0.69 ESR1 (0.50) CHEK1CSNK2A1PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 — — US 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-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 DGAT1 53/4885VEGFA 4836/4885CHEK1 3378/4885

“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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