SCHEMBL3198256

SCHEMBL3198256

CCCOc1ccc(-c2ncc(CO)cn2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.43
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
LIMK1 P53667 1/20 0.37
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
ACACB O00763 2/20 0.37
ACACA Q13085 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
LMNA P02545 1/20 0.35
SRD5A2 P31213 1/20 0.35

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
SCHEMBL3207802 0.88 PDK2 (0.40) PDK2PTPN7DUSP3THRATHRB
SCHEMBL4057653 0.86 LIMK1 (0.43) LIMK1NR1H2NR1H3SRD5A2
SCHEMBL1436553 0.84 KMT2A (0.49) PDK2THRATHRBMAPK8MAPK10
SCHEMBL2059749 0.82 MAPT (0.43) PDK2PTPN7DUSP3THRATHRB
SCHEMBL3219126 0.81 PDK2 (0.42) PDK2PTPN7DUSP3THRATHRB
SCHEMBL1436411 0.79 AKR1C3 (0.44) PDK2SRD5A2
SCHEMBL4060457 0.79 PDK2 (0.42) PDK2PTPN7DUSP3THRATHRB
SCHEMBL4056368 0.78 PDK2 (0.41) PDK2PTPN7DUSP3THRATHRB
SCHEMBL2059744 0.78 PDK2 (0.37) PDK2PTPN7DUSP3THRATHRB
SCHEMBL2059746 0.78 CYP1A1 (0.40) PDK2PTPN7DUSP3THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 US claimed
WO-2010006096-A1 PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 WO claimed
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 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-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 PDK2 2333/4885PTPN7 2795/4885DUSP3 2320/4885

“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.