SCHEMBL3775210

SCHEMBL3775210

O=C(Nc1ccc(-c2ccsc2)cn1)c1cccc(NCc2ccccc2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.50
GRK2 P25098 4/20 0.47
ROCK2 O75116 3/20 0.46
GRK3 P35626 2/20 0.46
PRKCA P17252 2/20 0.46
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCH P24723 1/20 0.46
GRK5 P34947 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46
GRK1 Q15835 1/20 0.46
GRK7 Q8WTQ7 1/20 0.46
HDAC6 Q9UBN7 3/20 0.45
HDAC8 Q9BY41 2/20 0.45

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
SCHEMBL3778235 0.89 PTGES (0.55) PTGESGRK2ROCK2GRK3PRKCA
SCHEMBL3772376 0.85 PTGES (0.70) PTGESCTSCMEN1KMT2APTGS1
SCHEMBL3776698 0.84 PTGES (0.50) PTGESGRK2ROCK2GRK3PRKCA
SCHEMBL3772825 0.83 KMT2A (0.58) PTGESGRK2ROCK2GRK3PRKCA
SCHEMBL3774227 0.73 PTGES (0.78) PTGESMEN1KMT2APTGS1ABL1
SCHEMBL18979448 0.68 HDAC1 (0.46) HDAC1CTSC
SCHEMBL5523916 0.67 KCNK3 (0.52) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL31672278 0.67 CHEK2 (0.45) CTSC
SCHEMBL18979409 0.67 CHEK2 (0.45) CTSC
SCHEMBL3764443 0.67 PTGES (1.00) PTGESMEN1KMT2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 PTGES 54/4885GRK2 1884/4885ROCK2 4006/4885

“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.