SCHEMBL21068846

SCHEMBL21068846

O=S(=O)(OCCCOCCCOCc1ccccc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.43
TSHR P16473 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MGLL Q99685 1/20 0.39
NAAA Q02083 1/20 0.39
CES1 P23141 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL4543170 0.98 CA2 (0.46) CA2CA1TSHRCA9TDP1
SCHEMBL9107341 0.89 CA2 (0.49) CA2CA1TSHRCA9MGLL
SCHEMBL29287385 0.82 TSHR (0.50) CA2CA1TSHRCA9TDP1
SCHEMBL12737572 0.81 CA2 (0.41) CA2CA1TSHRCA9ALDH1A1
SCHEMBL20294565 0.81 ALDH1A1 (0.45) CA2CA1TSHRCA9TDP1
SCHEMBL4625553 0.80 CA2 (0.55) CA2CA1CA9CES1
SCHEMBL777315 0.79 CA2 (0.66) CA2CA1TSHRCA9MGLL
SCHEMBL7399184 0.79 TSHR (0.44) CA2CA1TSHRCA9TDP1
SCHEMBL27032046 0.79 ALDH1A1 (0.48) CA2CA1TSHRCA9TDP1
SCHEMBL26189830 0.79 TSHR (0.67) CA2CA1TSHRCA9TDP1

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
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 CA2 2944/4885CA1 1332/4885TSHR 687/4885

“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.