SCHEMBL23201209

SCHEMBL23201209

N=C(NC(=O)OC(=O)C(F)(F)F)c1ccc(CN)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.43
HDAC3 O15379 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
F10 P00742 1/20 0.40
PRSS1 P07477 4/20 0.36
PLG P00747 2/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
ST14 Q9Y5Y6 2/20 0.35
HTR2C P28335 1/20 0.35
TPSAB1 Q15661 5/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MASP2 O00187 1/20 0.33
HDAC1 Q13547 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
MAOB P27338 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL30387154 0.83 LOXL2 (0.50) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL25054199 0.81 MASP2 (0.44) LOXL2HDAC3HDAC6NCOR2F10
Trifluoroacetic Acid SCHEMBL30386986 0.79 MASP2 (0.44) LOXL2HDAC3HDAC6NCOR2F10
Trifluoroacetic Acid SCHEMBL30385710 0.79 LOXL2 (0.42) LOXL2HDAC3HDAC6NCOR2F10
Hydrochloric Acid SCHEMBL5846568 0.79 LOXL2 (0.47) LOXL2HDAC3HDAC6NCOR2F10
Trifluoroacetic Acid SCHEMBL23201208 0.78 HDAC3 (0.44) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL31205801 0.78 LOXL2 (0.39) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL7422144 0.77 LOXL2 (0.56) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL5731734 0.77 LOXL2 (0.49) LOXL2HDAC3HDAC6NCOR2F10
Trifluoroacetic Acid SCHEMBL30386559 0.77 MASP2 (0.42) LOXL2HDAC3HDAC6NCOR2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 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-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 LOXL2 1380/4885HDAC3 2682/4885HDAC6 1158/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 LOXL2 1380/4885HDAC3 2682/4885HDAC6 1158/4885

“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.