SCHEMBL6400375

SCHEMBL6400375

C[C@](O)(C(=O)O)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.49
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
RIPK1 Q13546 3/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP51A1 Q16850 1/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL8591922 1.00 KCNN4 (0.49) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL405869 0.87 KCNN4 (0.46) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL8636719 0.84 KCNN4 (0.44) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL2791382 0.83 KCNN4 (0.50) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL30501769 0.83 KCNN4 (0.50) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL29009855 0.81 KCNN4 (0.49) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL8636724 0.81 KCNN4 (0.41) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL3169297 0.81 KCNN4 (0.51) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL8780648 0.81 HDAC6 (0.43) KCNN4HDAC3HDAC1HDAC2HDAC6
Bromomethane SCHEMBL3179019 0.80 KCNN4 (0.47) KCNN4HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 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-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 KCNN4 297/4885HDAC3 530/4885HDAC1 1731/4885

“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.