SCHEMBL20995367

SCHEMBL20995367

FC(F)(Sc1ccccc1)C(F)(F)n1cc(-c2ccccc2)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.39
▸ ALOX5 P09917 2/20 0.38
▸ BCHE P06276 1/20 0.37
▸ GGPS1 O95749 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ KDR P35968 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ ALDH1A3 P47895 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 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
SCHEMBL20995378 0.82 CYP19A1 (0.46) CYP19A1BCHEGGPS1NPC1RAB9A
SCHEMBL20995351 0.78 CYP19A1 (0.42) CYP19A1BCHEGGPS1NPC1RAB9A
SCHEMBL20995389 0.77 CYP19A1 (0.47) CYP19A1BCHEGGPS1NPC1RAB9A
SCHEMBL20995369 0.76 CYP19A1 (0.41) CYP19A1BCHEGGPS1NPC1RAB9A
SCHEMBL13036563 0.74 CYP19A1 (0.47) CYP19A1BCHEGGPS1NPC1RAB9A
SCHEMBL26156421 0.71 CYP19A1 (0.45) CYP19A1ALOX5BCHENPC1RAB9A
SCHEMBL20995370 0.70 MIF (0.50) CYP19A1NPC1KDRTEKDPP4
SCHEMBL20995384 0.69 NPC1 (0.44) NPC1RAB9ACA12CA1CA2
SCHEMBL20995385 0.69 PTGS2 (0.47) CA12CA9KDRTEKPTGS2
SCHEMBL20995353 0.69 ALOX5 (0.41) ALOX5NPC1RAB9APTGS2

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-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2019-05-30 — — US claimed
US-10590091-B2 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides Ustav Organicke Chemie A Biochemie AV CR , v.v.i. (CZ) 2020-03-17 — — US disclosed
US-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2019-05-30 — — 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 (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-10590091-B2 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides CYP2F1, PRXL2A, CRBN CYP19A1 97/4885ALOX5 1221/4885BCHE 3415/4885
US-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides CYP2F1, PRXL2A, CRBN CYP19A1 97/4885ALOX5 1221/4885BCHE 3415/4885

“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.

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