SCHEMBL19965871

SCHEMBL19965871

Cc1nc(C(F)(F)F)nn1C(C)C(O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL15723779 0.81 ALDH1A1 (0.31) ALDH1A1KMT2AL3MBTL1
SCHEMBL15491702 0.76 ALDH1A1 (0.38) ALDH1A1KMT2AL3MBTL1
SCHEMBL13605202 0.72 ESR1 (0.31)
SCHEMBL15492957 0.71 L3MBTL1 (0.40) ALDH1A1KMT2AL3MBTL1
SCHEMBL4781697 0.66 HTT (0.35) ALDH1A1KMT2A
SCHEMBL19965862 0.66 KDM4E (0.41)
SCHEMBL6090787 0.62 BCHE (0.31)
SCHEMBL18467791 0.62 PTGS1 (0.31) ALDH1A1KMT2A
SCHEMBL25930929 0.60
SCHEMBL24185802 0.60 TMEM97 (0.39) ALDH1A1

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
US-10342781-B2 Diazole amides CHEMOCENTRYX, INC. (US) 2019-07-09 US disclosed
US-20180071257-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. 2018-03-15 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-20180071257-A1 DIAZOLE AMIDES CCR1, CCRL2, CCR4 ALDH1A1 919/4885KMT2A 4027/4885L3MBTL1 614/4885
US-10342781-B2 Diazole amides CCR1, CCRL2, CCR4 ALDH1A1 919/4885KMT2A 4027/4885L3MBTL1 614/4885

“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.