SCHEMBL5865838

SCHEMBL5865838

OC(c1ccccc1)C(F)(F)C(O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HPGD P15428 2/20 0.41
SCN4A P35499 2/20 0.40
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AOC3 Q16853 1/20 0.39
HSD17B2 P37059 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL5865836 1.00 IDO1 (0.46) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL5865831 0.92 TSHR (0.44) IDO1TDO2HPGDAOC3TSHR
SCHEMBL5865837 0.87 AOC3 (0.47) AOC3TSHRLMNAMAPK1HIF1A
SCHEMBL477552 0.81 IDO1 (0.54) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL477379 0.81 IDO1 (0.54) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL477349 0.81 IDO1 (0.54) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL21626316 0.79 TSHR (0.44) IDO1TDO2HPGDAOC3TSHR
SCHEMBL21508213 0.79 TSHR (0.44) IDO1TDO2HPGDAOC3TSHR
SCHEMBL10439949 0.79 IDO1 (0.52) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL1508521 0.79 TSHR (0.44) IDO1TDO2HPGDAOC3TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087789-B2 Methods for nucleophilic fluoromethylation UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-08-08 US claimed
US-20040230079-A1 Methods for nucleophilic fluoromethylation SOUTHERN CALIFORNIA, UNIVERSITY OF 2004-11-18 US claimed
US-7087789-B2 Methods for nucleophilic fluoromethylation UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-08-08 US disclosed
US-20040230079-A1 Methods for nucleophilic fluoromethylation SOUTHERN CALIFORNIA, UNIVERSITY OF 2004-11-18 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 (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-20040230079-A1 Methods for nucleophilic fluoromethylation PHF2, HAO2, GSTM2 IDO1 3351/4885TDO2 522/4885SLC6A2 2902/4885

“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.