SCHEMBL20010740

SCHEMBL20010740

Cc1cc(N)c2c(OCC(NC(=O)c3cc(O)cc(O)c3)C(C)C)cccc2n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 4/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TAS1R3 Q7RTX0 4/20 0.34
▸ TAS1R1 Q7RTX1 4/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ GUCY1B2 O75343 1/20 0.34
▸ GUCY1A2 P33402 1/20 0.34
▸ GUCY1A1 Q02108 1/20 0.34
▸ GUCY1B1 Q02153 1/20 0.34
▸ NCF1 P14598 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ ADAM17 P78536 1/20 0.33

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
SCHEMBL10251915 1.00 OPRL1 (0.35) OPRL1TLR8TAS1R3TAS1R1MMP9
SCHEMBL10251299 0.95 OPRL1 (0.34) OPRL1TLR8TAS1R3TAS1R1MMP9
SCHEMBL20010738 0.94 KDM4E (0.39) OPRL1TLR8TAS1R3TAS1R1MMP9
SCHEMBL10251377 0.94 KDM4E (0.39) OPRL1TLR8TAS1R3TAS1R1MMP9
SCHEMBL18080681 0.93 MEN1 (0.40) OPRL1TAS1R3TAS1R1SMN1; SMN2
SCHEMBL10250910 0.89 GAA (0.41) TAS1R3TAS1R1MMP9SMN1; SMN2
SCHEMBL20010736 0.87 TAS1R3 (0.38) OPRL1TLR8TAS1R3TAS1R1MMP9
SCHEMBL10251318 0.87 TAS1R3 (0.38) OPRL1TLR8TAS1R3TAS1R1MMP9
SCHEMBL10251264 0.86 SMN1; SMN2 (0.38) OPRL1SMN1; SMN2
SCHEMBL10251440 0.86 SMN1; SMN2 (0.38) OPRL1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086751-A1 SWEETENER COMPOSITION SENOMYX, INC. 2018-03-29 — — 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-20180086751-A1 SWEETENER COMPOSITION TAS2R50, TAS1R2, TAS2R10 OPRL1 4501/4885TLR8 950/4885TAS1R3 18/4885

“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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