SCHEMBL17356471

SCHEMBL17356471

COC(=O)C(=O)Oc1c(F)cc(C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.46
NOTUM Q6P988 1/20 0.41
MAPT P10636 1/20 0.38
CFTR P13569 1/20 0.37
CES2 O00748 1/20 0.37
GAA P10253 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CCR1 P32246 1/20 0.35
CCR2 P41597 1/20 0.35
APP P05067 1/20 0.35
TRPA1 O75762 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
P2RX1 P51575 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL17356413 0.84 NOTUM (0.42) GPR35NOTUMMAPTCFTRCES2
SCHEMBL17356479 0.81 GPR35 (0.53) GPR35NOTUMMAPTSMN1; SMN2TMPRSS4
SCHEMBL17356423 0.80 KDM4E (0.46) GPR35NOTUMMAPTCES2GAA
SCHEMBL17355800 0.80 HDAC1 (0.36) MAPTSMN1; SMN2
SCHEMBL17356510 0.79 CFTR (0.44) GPR35MAPTCFTRGAA
SCHEMBL17356507 0.79 KDM4E (0.47) GPR35MAPTCFTRGAACYP11B1
SCHEMBL17356498 0.77 GPR35 (0.44) GPR35NOTUMMAPTCFTRCES2
SCHEMBL17356455 0.73 SMN1; SMN2 (0.49) GPR35MAPTSMN1; SMN2
SCHEMBL20639131 0.73 NOTUM (0.53) GPR35NOTUMMAPTCFTRCES2
SCHEMBL17356453 0.72 SOS1 (0.37) GPR35NOTUMMAPTCFTRGAA

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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE HCN2, SCO2, HCN1 GPR35 3738/4885NOTUM 723/4885MAPT 4452/4885

“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.