SCHEMBL21867106

SCHEMBL21867106

CC(C)OC(=O)c1ccc(OCCCCC(=O)NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ HDAC1 Q13547 9/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HDAC2 Q92769 7/20 0.40
▸ HDAC3 O15379 4/20 0.39
▸ HDAC4 P56524 4/20 0.39
▸ HDAC7 Q8WUI4 4/20 0.39
▸ HDAC10 Q969S8 4/20 0.39
▸ HDAC11 Q96DB2 4/20 0.39
▸ HDAC8 Q9BY41 4/20 0.39
▸ HDAC6 Q9UBN7 4/20 0.39
▸ HDAC9 Q9UKV0 4/20 0.39
▸ HDAC5 Q9UQL6 4/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL21867107 0.76 MAPT (0.45) TSHRHDAC1HPGDMAPTHDAC2
SCHEMBL21448021 0.76 CA12 (0.53) TSHRMAPTL3MBTL1CA12CA1
SCHEMBL21867371 0.74 DEGS1 (0.39) TSHR
SCHEMBL25788172 0.74 TP53 (0.56) TSHRMMP1
SCHEMBL21867249 0.74 DEGS1 (0.36) TSHRMAPTL3MBTL1
SCHEMBL21867289 0.73 TSHR (0.50) TSHRHPGDMAPTL3MBTL1CA12
SCHEMBL7412748 0.72 TSHR (0.55) TSHRHPGDMAPTL3MBTL1CA12
SCHEMBL948173 0.69 CA12 (0.61) TSHRHPGDMAPTL3MBTL1CA12
SCHEMBL9906554 0.69 NPC1 (0.67) TSHRMAPT
SCHEMBL4367410 0.69 PLA2G4B (0.59) MAPT

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-20200115382-A1 CURABLE COMPOSITION, CURED FILM, OPTICAL FILTER, SOLID IMAGE PICKUP ELEMENT, IMAGE DISPLAY DEVICE, INFRARED SENSOR, DISPERSING AUXILIARY AGENT, DISPERSION, AND METHOD OF MANUFACTURING DISPERSION FUJIFILM CORPORATION (JP) 2020-04-16 — — 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-20200115382-A1 CURABLE COMPOSITION, CURED FILM, OPTICAL FILTER, SOLID IMAGE PICKUP ELEMENT, IMAGE DISPLAY DEVICE, INFRARED SENSOR, DISPERSING AUXILIARY AGENT, DISPERSION, AND METHOD OF MANUFACTURING DISPERSION PRKG2, PRKD1, PRKG1 TSHR 3500/4885HDAC1 1434/4885HPGD 3595/4885

“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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