SCHEMBL3772889

SCHEMBL3772889

O=Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.67
KCNK9 Q9NPC2 3/20 0.67
PTGS1 P23219 2/20 0.67
RXFP1 Q9HBX9 6/20 0.62
F2R P25116 1/20 0.60
PTPRC P08575 1/20 0.56
PTGES O14684 3/20 0.53
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
SLC1A1 P43005 1/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
P2RX1 P51575 1/20 0.51
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL13709108 0.81 RAB9A (0.50) KCNK3KCNK9PTGS1RXFP1LMNA
SCHEMBL5332281 0.81 KCNK3 (0.75) KCNK3KCNK9PTGS1RXFP1F2R
SCHEMBL12764065 0.81 KCNK3 (0.83) KCNK3KCNK9PTGS1RXFP1F2R
SCHEMBL8184566 0.80 APOB (0.55) PTGS1RXFP1LMNAGAAP2RX1
SCHEMBL2266591 0.80 KMT2A (0.56) AURKAAURKB
SCHEMBL3766556 0.80 KCNK3 (0.82) KCNK3KCNK9PTGS1RXFP1F2R
SCHEMBL18789745 0.79 KCNK3 (0.65) KCNK3KCNK9RXFP1F2RLMNA
SCHEMBL21652194 0.78 RXFP1 (0.73) KCNK3KCNK9PTGS1RXFP1F2R
SCHEMBL20641965 0.78 KCNK3 (0.76) KCNK3KCNK9PTGS1RXFP1F2R
SCHEMBL2106763 0.78 KCNK3 (0.76) KCNK3KCNK9PTGS1RXFP1F2R

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 5 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
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 KCNK3 1692/4885KCNK9 1283/4885PTGS1 17/4885

“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.