SCHEMBL3743369

SCHEMBL3743369

CC(C)C(=O)c1ccn(Cc2ccc(F)c(C(F)(F)F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
HDAC8 Q9BY41 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
P2RX7 Q99572 4/20 0.38
EPHX1 P07099 1/20 0.37
PTPN7 P35236 3/20 0.37
DUSP3 P51452 3/20 0.37
SLC6A9 P48067 3/20 0.37
KCNH2 Q12809 3/20 0.37
CYP3A4 P08684 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36
NR3C2 P08235 1/20 0.36
GRIA2 P42262 1/20 0.36
PCSK9 Q8NBP7 1/20 0.35
CYP2D6 P10635 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
SCHEMBL13504501 0.86 CACNA1H (0.41)
SCHEMBL2661623 0.78 LMNA (0.42) ARHDAC8LMNATP53MAPT
SCHEMBL12780344 0.74 HDAC8 (0.54) ARHDAC8
SCHEMBL20363926 0.74 HDAC8 (0.54) ARHDAC8
SCHEMBL13504236 0.71 RIPK1 (0.36) MAPTP2RX7CYP3A4CYP2D6
SCHEMBL28782801 0.68 RXRA (0.44) ARLMNATP53MAPTP2RX7
SCHEMBL27364061 0.68 ADORA2B (0.47) ARLMNAMAPTSLC6A9KCNH2
SCHEMBL13463852 0.68 KCNH2 (0.59) ARP2RX7PTPN7DUSP3KCNH2
SCHEMBL2661784 0.68 AR (0.41) ARLMNATP53MAPTP2RX7
SCHEMBL28869336 0.66 CYP11B1 (0.58)

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-20100292143-A1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-11-18 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-20100292143-A1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION GCK, PCK1, GCKR AR 3938/4885HDAC8 856/4885LMNA 3790/4885

“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.