SCHEMBL19087098

SCHEMBL19087098

Fc1nn(-c2ccccc2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTGS1 P23219 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
BRAF P15056 1/20 0.35
HTT P42858 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL16769782 0.88 PTGS1 (0.40) MAPTPOLBSMN1; SMN2PTGS1ALDH1A1
SCHEMBL19087096 0.75 PTGS1 (0.42) MAPTPOLBSMN1; SMN2PTGS1ALDH1A1
SCHEMBL19087157 0.74 CYP1A2 (0.47) MAPTPOLBSMN1; SMN2PTGS1ALDH1A1
SCHEMBL19230172 0.74 PTGS1 (0.38) MAPTPOLBSMN1; SMN2PTGS1ALDH1A1
SCHEMBL16769347 0.71 SMN1; SMN2 (0.37) MAPTPOLBSMN1; SMN2PTGS1ALDH1A1
SCHEMBL16769783 0.71 PTGS1 (0.40) MAPTPOLBSMN1; SMN2PTGS1ALDH1A1
SCHEMBL13860574 0.70 NPC1 (0.47) PTGS1ALDH1A1KDM4ELMNAHPGD
SCHEMBL15060859 0.68 PTGS1 (0.37) MAPTPOLBSMN1; SMN2PTGS1ALDH1A1
SCHEMBL12609497 0.66 PTGS1 (0.35) PTGS1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL20427928 0.66 CYP1A2 (0.60) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E

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
US-9957256-B2 Process for the preparation of 5-fluoro-1H-pyrazoles starting from hexafluoropropene BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-01 US disclosed
US-9845312-B2 Process for the preparation of 5-fluoro-1H-pyrazoles BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-19 US disclosed
US-20170233348-A1 Process for the preparation of 5-fluoro-1H-pyrazoles starting from hexafluoropropene ELANCO ANIMAL HEALTH GMBH (DE) 2017-08-17 US disclosed
US-9725415-B2 Process for the preparation of 5-fluoro-1H-pyrazoles BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-08 US disclosed
US-20170190690-A1 Process for the preparation of 5-fluoro-1H-pyrazoles starting from hexafluoropropene ELANCO ANIMAL HEALTH GMBH (DE) 2017-07-06 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-20170233348-A1 Process for the preparation of 5-fluoro-1H-pyrazoles starting from hexafluoropropene CYP2F1, CYP4F2, CYP4F11 MAPT 3003/4885POLB 1397/4885SMN1; SMN2 3769/4885
US-20170190690-A1 Process for the preparation of 5-fluoro-1H-pyrazoles starting from hexafluoropropene CYP2F1, CYP4F2, CYP4F11 MAPT 3003/4885POLB 1397/4885SMN1; SMN2 3769/4885

“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.