SCHEMBL19611683

SCHEMBL19611683

O=C(O)Cc1ccc(OC(F)(F)F)cc1.O=C(O)NNC(=O)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.56
LTA4H P09960 1/20 0.56
NLRP3 Q96P20 1/20 0.54
HTT P42858 1/20 0.50
MAPK8 P45983 1/20 0.49
CACNA1H O95180 2/20 0.47
CACNA1G O43497 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HPGD P15428 1/20 0.43
SHMT2 P34897 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL378766 0.86 EPHX2 (0.54) EPHX2LTA4HNLRP3HTTMAPK8
Hydrochloric Acid SCHEMBL1373117 0.85 EPHX2 (0.52) EPHX2LTA4HNLRP3HTTMAPK8
SCHEMBL27028196 0.82 EPHX2 (0.60) EPHX2LTA4HNLRP3MAPK8MEN1
SCHEMBL19611780 0.80 NLRP3 (0.54) NLRP3HTTCACNA1HCACNA1GCACNA1I
SCHEMBL6869972 0.79 MAPK8 (0.59) EPHX2LTA4HNLRP3MAPK8CACNA1H
SCHEMBL17731046 0.78 NLRP3 (0.52) EPHX2LTA4HNLRP3HTTMAPK8
Hydrochloric Acid SCHEMBL17730772 0.77 MAPK8 (0.58) EPHX2LTA4HNLRP3MAPK8CACNA1H
SCHEMBL13329837 0.77 NLRP3 (0.57) EPHX2LTA4HNLRP3HTTMAPK8
SCHEMBL21980985 0.75 HTT (0.86) EPHX2HTTMEN1KMT2ASMN1; SMN2
SCHEMBL584599 0.73 FFAR1 (0.64) FFAR1FFAR4

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-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 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-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 EPHX2 2519/4885LTA4H 639/4885NLRP3 228/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 EPHX2 2519/4885LTA4H 639/4885NLRP3 228/4885

“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.