SCHEMBL4250122

SCHEMBL4250122

CC[C@@H](COc1ccc(C(=S)NO)cc1)NC(=O)/C=C(\C)c1cc2cc(OC3CCN(C4CC4)CC3)ccc2o1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.37
TAS1R1 Q7RTX1 8/20 0.37
F10 P00742 4/20 0.33
F2 P00734 3/20 0.33
HRH3 Q9Y5N1 5/20 0.33
TPSAB1 Q15661 2/20 0.32
TPSD1 Q9BZJ3 2/20 0.32
TPSG1 Q9NRR2 2/20 0.32

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
SCHEMBL445714 0.93 TAS1R3 (0.39) TAS1R3TAS1R1F10F2HRH3
SCHEMBL4248654 0.90 TAS1R3 (0.47) TAS1R3TAS1R1F10HRH3
SCHEMBL4255359 0.85 TAS1R3 (0.52) TAS1R3TAS1R1
SCHEMBL444241 0.83 TAS1R3 (0.49) TAS1R3TAS1R1F10HRH3
SCHEMBL4250157 0.83 TAS1R3 (0.41) TAS1R3TAS1R1
SCHEMBL4252461 0.80 TAS1R3 (0.50) TAS1R3TAS1R1F2
SCHEMBL445713 0.79 TAS1R3 (0.39) TAS1R3TAS1R1F10F2HRH3
SCHEMBL445715 0.78 HRH3 (0.39) F10F2HRH3
SCHEMBL4255634 0.77 HPGD (0.45) F10F2HRH3TPSAB1TPSD1
SCHEMBL444771 0.77 TAS1R3 (0.56) TAS1R3TAS1R1

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 TAS1R3 3722/4885TAS1R1 3753/4885F10 3563/4885

“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.