Sugi Predict

Sugi Predict / Compounds / SCHEMBL6014444

SCHEMBL6014444

SCHEMBL6014444

CCOS(=O)(=O)OCCCN

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 18/20 0.42
▸ CA2 P00918 18/20 0.42
▸ CA9 Q16790 15/20 0.40
▸ CA12 O43570 5/20 0.39
▸ CA7 P43166 5/20 0.39
▸ CA14 Q9ULX7 5/20 0.39
▸ CA3 P07451 4/20 0.39
▸ CA4 P22748 4/20 0.39
▸ CA6 P23280 4/20 0.39
▸ CA5A P35218 4/20 0.39
▸ CA5B Q9Y2D0 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL8506764 0.88 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL6014638 0.86 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL11290657 0.85 TSHR (0.50) CA1CA2CA9CA12CA7
SCHEMBL29875978 0.82 CA1 (0.37) CA1CA2CA9CA12CA7
SCHEMBL3054380 0.81 CA1 (0.56) CA1CA2CA9CA12CA7
SCHEMBL700982 0.80 CA1 (0.50) CA1CA2CA9CA12CA7
Decylamine SCHEMBL27348604 0.80 DNM1 (0.56) CA1CA2CA9CA12CA7
Dodecylamine SCHEMBL27344858 0.80 DNM1 (0.56) CA1CA2CA9CA12CA7
SCHEMBL25630428 0.80 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL3050404 0.79 CA1 (0.58) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 — — US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 — — US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 — — US disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 — — EP disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 — — US disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 — — WO 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 (2 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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 CA1 1667/4885CA2 2598/4885CA9 2895/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 CA1 1667/4885CA2 2598/4885CA9 2895/4885

“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.