SCHEMBL19567289

SCHEMBL19567289

CNCc1ccccc1CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.46
SLC6A2 P23975 7/20 0.46
SLC6A3 Q01959 6/20 0.46
MCL1 Q07820 1/20 0.41
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HTR2A P28223 4/20 0.39
IFNAR1 P17181 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
KCNH2 Q12809 2/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11717665 0.82 IDO1 (0.38) KDM4EALDH1A1TAAR1POLB
SCHEMBL8016874 0.82 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3MCL1LTA4H
SCHEMBL31265560 0.82 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3MCL1LTA4H
SCHEMBL13334563 0.81 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3MCL1LTA4H
SCHEMBL23514506 0.79 BCHE (0.44) ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL8007706 0.76 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3MCL1KDM4E
SCHEMBL16676698 0.76 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3MCL1LTA4H
SCHEMBL22969779 0.76 GABRA1 (0.46) MAPT
SCHEMBL514804 0.75 IDO1 (0.50) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL10842936 0.75 OPRM1 (0.41) SLC6A4SLC6A2SLC6A3KDM4EMAPT

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
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
WO-2021072203-A1 TGFBETAR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed
WO-2021011834-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 US disclosed
WO-2017191098-A1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-11-09 WO 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 (1 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-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 SLC6A4 4517/4885SLC6A2 4355/4885SLC6A3 4294/4885

“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.