SCHEMBL21670482

SCHEMBL21670482

Fc1nc(Cl)c(C(F)(F)F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.35
PIK3CD O00329 1/20 0.35
XPO1 O14980 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ADRB2 P07550 1/20 0.33
CASP3 P42574 1/20 0.31
TRPA1 O75762 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
IDO1 P14902 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31

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
SCHEMBL30285322 1.00 NOTUM (0.35) NOTUMPIK3CDXPO1CYP11B1CYP11B2
SCHEMBL6950199 0.84 NOTUM (0.36) NOTUMCYP11B1CYP11B2CASP3TRPA1
SCHEMBL30355198 0.84 NOTUM (0.36) NOTUMCYP11B1CYP11B2CASP3TRPA1
SCHEMBL28454953 0.83 NOTUM (0.35) NOTUMPIK3CDCYP11B1CYP11B2CASP3
SCHEMBL29687228 0.82 PIK3CD (0.37) NOTUMPIK3CDXPO1CYP11B1CYP11B2
SCHEMBL675996 0.82 PIK3CD (0.37) NOTUMPIK3CDXPO1CYP11B1CYP11B2
SCHEMBL24611359 0.79 XPO1 (0.33) NOTUMPIK3CDXPO1CYP11B1CYP11B2
SCHEMBL10853416 0.79 PIK3CD (0.40) NOTUMPIK3CDXPO1CYP11B1CYP11B2
SCHEMBL31717937 0.77 PIK3CD (0.41) NOTUMPIK3CDXPO1ADRB2CASP3
SCHEMBL7784302 0.77 PIK3CD (0.41) NOTUMPIK3CDXPO1ADRB2CASP3

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
CN-110475764-B Method for purifying trifluoromethylpyridines 石原产业株式会社 2023-03-31 CN disclosed
EP-3608309-B1 METHOD FOR PURIFYING TRIFLUOROMETHYLPYRIDINE COMPOUND ISHIHARA SANGYO KAISHA (JP) 2022-07-13 EP disclosed
US-10882824-B2 Method for purifying trifluoromethylpyridines ISHIHARA SANGYO KAISHA, LTD. (JP) 2021-01-05 US disclosed
US-20200048203-A1 METHOD FOR PURIFYING TRIFLUOROMETHYLPYRIDINES ISHIHARA SANGYO KAISHA, LTD. (JP) 2020-02-13 US disclosed
EP-3608309-A1 METHOD FOR PURIFYING TRIFLUOROMETHYLPYRIDINE COMPOUND Ishihara Sangyo Kaisha, Ltd. (JP) 2020-02-12 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-20200048203-A1 METHOD FOR PURIFYING TRIFLUOROMETHYLPYRIDINES AFF1, AFF2, AFF4 NOTUM 1631/4885PIK3CD 3674/4885XPO1 2676/4885
US-10882824-B2 Method for purifying trifluoromethylpyridines AFF1, AFF2, AFF4 NOTUM 1631/4885PIK3CD 3674/4885XPO1 2676/4885

“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.