SCHEMBL3610145

SCHEMBL3610145

CC(C(=O)O)[C@H](NC(=O)c1ccc2occc2c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
HTR1B P28222 2/20 0.54
CTNNB1 P35222 5/20 0.46
WNT3A P56704 5/20 0.46
NAMPT P43490 1/20 0.45
CHRNA7 P36544 5/20 0.43
HTR3A P46098 3/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
PIN1 Q13526 1/20 0.43
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
IDO1 P14902 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL2821662 0.78 TAS1R3 (0.60) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
SCHEMBL27601966 0.77 TAS1R3 (0.65) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
SCHEMBL12020481 0.75 HTR1B (0.63) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
SCHEMBL702813 0.75 TAS1R3 (0.59) TAS1R3TAS1R1HTR1B
SCHEMBL29169869 0.75 HTR1B (0.67) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
SCHEMBL2408440 0.74 TAS1R3 (0.56) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
Hydrochloric Acid SCHEMBL30164255 0.74 HTR1B (0.61) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
SCHEMBL14880251 0.74 HTR1B (0.56) TAS1R3TAS1R1HTR1BCTNNB1WNT3A
SCHEMBL10226453 0.73 TAS1R3 (1.00) TAS1R3TAS1R1
SCHEMBL2405242 0.73 HDAC1 (0.60) TAS1R3TAS1R1HTR1BCTNNB1WNT3A

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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 TAS1R3 868/4885TAS1R1 975/4885HTR1B 2649/4885

“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.