SCHEMBL16478997

SCHEMBL16478997

O=S(=O)(OCCCOc1ccc2ccccc2c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PTPN7 P35236 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.45
PPARG P37231 2/20 0.45
HDAC1 Q13547 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AGXT P21549 2/20 0.44
HTT P42858 1/20 0.43
DRD3 P35462 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
HRAS P01112 1/20 0.42
KRAS P01116 1/20 0.42

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
SCHEMBL9080146 0.84 KCNA3 (0.52) CA1CA2ALDH1A1HDAC1DRD3
SCHEMBL30189577 0.80 KDM4E (0.54) KDM4ETDP1MAPK1CA1CA2
SCHEMBL3310045 0.80 KDM4E (0.54) KDM4ETDP1MAPK1CA1CA2
SCHEMBL29429997 0.79 TDP1 (0.76) KDM4ETDP1MAPK1PTPN7ALDH1A1
SCHEMBL1859481 0.79 TDP1 (0.76) KDM4ETDP1MAPK1PTPN7ALDH1A1
SCHEMBL1713420 0.77 CA1 (0.61) TDP1MAPK1CA1CA2PTPN7
SCHEMBL29839512 0.77 CA1 (0.61) TDP1MAPK1CA1CA2PTPN7
SCHEMBL9808305 0.77 TDP1 (0.68) KDM4ETDP1MAPK1PTPN7ALDH1A1
SCHEMBL18889128 0.76 KCNA3 (0.48) CA1CA2ALDH1A1HDAC1RAB9A
SCHEMBL3991586 0.76 TDP1 (0.71) KDM4ETDP1MAPK1PTPN7ALDH1A1

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-9751844-B2 Precursor compound connected to solid support for manufacturing 18F radiopharmaceutical, method for manufacturing same, and application thereof FUTURECHEM CO., LTD. (KR) 2017-09-05 US disclosed
US-20140011961-A1 PRECURSOR COMPOUND CONNECTED TO SOLID SUPPORT FOR MANUFACTURING 18F RADIOPHARMACEUTICAL, METHOD FOR MANUFACTURING SAME, AND APPLICATION THEREOF FUTURECHEM CO., LTD. (KR) 2014-01-09 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-20140011961-A1 PRECURSOR COMPOUND CONNECTED TO SOLID SUPPORT FOR MANUFACTURING 18F RADIOPHARMACEUTICAL, METHOD FOR MANUFACTURING SAME, AND APPLICATION THEREOF PFAS, RFT1, AFF1 KDM4E 2235/4885TDP1 1603/4885MAPK1 599/4885

“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.