SCHEMBL19495396

SCHEMBL19495396

CNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.49
LIPG Q9Y5X9 13/20 0.49
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
ROCK1 Q13464 1/20 0.41
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
EGFR P00533 1/20 0.39
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL2787680 0.83 LPL (0.45) LPLLIPGCA1CA2CA9
SCHEMBL2427419 0.83 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL12502043 0.81 LPL (0.43) LPLLIPGCA1CA2CA9
SCHEMBL239104 0.80 LPL (0.56) LPLLIPGCA1CA2CA9
SCHEMBL29986688 0.80 CA1 (0.48) LPLLIPGCA1CA2CA9
SCHEMBL2635766 0.80 CA1 (0.51) LPLLIPGCA1CA2CA9
SCHEMBL30124283 0.80 CA1 (0.51) LPLLIPGCA1CA2CA9
SCHEMBL5429666 0.80 CA1 (0.48) LPLLIPGCA1CA2CA9
SCHEMBL19495527 0.80 LPL (0.45) LPLLIPGCA1CA2CA9
SCHEMBL5899542 0.80 CA1 (0.51) LPLLIPGCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4001277-A2 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC Immune SA (CH) 2022-05-25 EP disclosed
EP-3426653-B1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA (CH) 2021-12-15 EP disclosed
US-20200299305-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA 2020-09-24 US disclosed
US-20190071450-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA (CH) 2019-03-07 US disclosed
EP-2718293-B1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2017-10-25 EP 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-20190071450-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY SNCA, PARK7, NLN LPL 3756/4885LIPG 4523/4885CA1 3173/4885
US-20200299305-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY SNCA, PARK7, NLN LPL 3756/4885LIPG 4523/4885CA1 3173/4885

“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.