SCHEMBL3769554

SCHEMBL3769554

Cc1cccc(CNC(=O)c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.62
KCNK9 Q9NPC2 3/20 0.62
F2R P25116 1/20 0.53
BCHE P06276 2/20 0.53
PTGS1 P23219 1/20 0.53
PTGES O14684 4/20 0.52
EPHX2 P34913 2/20 0.52
PPARG P37231 1/20 0.51
MAPT P10636 2/20 0.50
GRK3 P35626 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.50
ROCK2 O75116 1/20 0.50
PRKD3 O94806 1/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCH P24723 1/20 0.50
GRK2 P25098 1/20 0.50

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
SCHEMBL3769394 0.94 KCNK3 (0.64) KCNK3KCNK9F2RBCHEPTGS1
SCHEMBL3766559 0.89 KCNK3 (0.66) KCNK3KCNK9F2RBCHEPTGS1
SCHEMBL3771423 0.85 KCNK3 (0.61) KCNK3KCNK9F2RBCHEPTGS1
SCHEMBL3769343 0.85 LMNA (0.70) KCNK3KCNK9F2RBCHEPTGS1
SCHEMBL3768908 0.85 MAPT (0.72) KCNK3KCNK9F2RBCHEPTGS1
SCHEMBL3772610 0.85 KCNK3 (0.58) KCNK3KCNK9F2RBCHEPTGS1
SCHEMBL3770493 0.84 KCNK3 (0.60) KCNK3KCNK9F2RBCHEPTGS1
SCHEMBL3768813 0.84 KCNK3 (0.61) KCNK3KCNK9F2RBCHEPTGS1
SCHEMBL3778616 0.83 KCNK3 (0.57) KCNK3KCNK9F2RBCHEPTGS1
SCHEMBL3767067 0.83 KCNK3 (0.70) KCNK3KCNK9F2RPTGS1PTGES

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO claimed
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 KCNK3 1692/4885KCNK9 1283/4885F2R 875/4885

“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.