SCHEMBL3778221

SCHEMBL3778221

CCOC(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.72
POLB P06746 1/20 0.72
PKM P14618 1/20 0.72
KCNK3 O14649 3/20 0.67
KCNK9 Q9NPC2 3/20 0.67
MAPK1 P28482 2/20 0.63
HSD17B10 Q99714 1/20 0.63
F2R P25116 1/20 0.63
PTGS1 P23219 1/20 0.59
RXFP1 Q9HBX9 1/20 0.58
NPC1 O15118 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
PTGES O14684 1/20 0.55
TSHR P16473 1/20 0.55
ABCB1 P08183 1/20 0.54

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
SCHEMBL15183729 0.84 RAB9A (1.00) RAB9APOLBPKMKCNK3KCNK9
SCHEMBL1383602 0.84 RAB9A (0.57) RAB9APOLBPKMKCNK3KCNK9
SCHEMBL28007803 0.82 RAB9A (0.70) RAB9APOLBPKMKCNK3KCNK9
SCHEMBL28007500 0.82 RAB9A (0.70) RAB9APOLBPKMKCNK3KCNK9
SCHEMBL2011651 0.82 RAB9A (0.77) RAB9APOLBPKMKCNK3KCNK9
SCHEMBL23367946 0.82 F2R (0.70) RAB9APOLBKCNK3KCNK9F2R
SCHEMBL3766556 0.81 KCNK3 (0.82) RAB9AKCNK3KCNK9F2RPTGS1
SCHEMBL6793571 0.81 RAB9A (0.76) RAB9APOLBPKMMAPK1HSD17B10
SCHEMBL11212635 0.81 KCNK3 (0.80) RAB9APOLBKCNK3KCNK9F2R
SCHEMBL16676736 0.81 POLB (0.76) RAB9APOLBPKMKCNK3KCNK9

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US disclosed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US disclosed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US disclosed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 RAB9A 2083/4885POLB 2038/4885PKM 1086/4885

“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.