SCHEMBL5054124

SCHEMBL5054124

CCCCC1=Nc2cc(C(=O)OC)ccc2Sc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
PLEC Q15149 1/20 0.61
NPSR1 Q6W5P4 2/20 0.61
PLA2G1B P04054 2/20 0.61
HTT P42858 2/20 0.61
ATG4B Q9Y4P1 2/20 0.61
MAPT P10636 2/20 0.61
PAX8 Q06710 1/20 0.61
POLB P06746 1/20 0.61
LMNA P02545 2/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CNR1 P21554 2/20 0.54
CNR2 P34972 1/20 0.52

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
SCHEMBL14205946 0.87 TP53 (0.70) TP53SMN1; SMN2PLECNPSR1PLA2G1B
SCHEMBL4669460 0.87 TP53 (0.74) TP53SMN1; SMN2PLECNPSR1PLA2G1B
SCHEMBL13808255 0.87 PLEC (0.64) TP53SMN1; SMN2PLECNPSR1PLA2G1B
SCHEMBL4669465 0.85 TP53 (0.59) TP53SMN1; SMN2PLECNPSR1PLA2G1B
SCHEMBL14542215 0.85 TP53 (0.68) TP53SMN1; SMN2PLECNPSR1PLA2G1B
SCHEMBL14542211 0.82 TP53 (0.67) TP53SMN1; SMN2PLECNPSR1PLA2G1B
SCHEMBL4669462 0.82 TP53 (0.46) TP53SMN1; SMN2PLECNPSR1PLA2G1B
SCHEMBL14043654 0.82 TP53 (0.75) TP53SMN1; SMN2NPSR1PLA2G1BHTT
SCHEMBL14206177 0.81 TP53 (0.88) TP53SMN1; SMN2NPSR1PLA2G1BHTT
SCHEMBL5062605 0.81 TP53 (0.58) TP53SMN1; SMN2PLECNPSR1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
WO-2007047776-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 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 (3 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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives SDHB, TFRC, SLC40A1 TP53 4530/4885SMN1; SMN2 3851/4885PLEC 3692/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH TP53 4870/4885SMN1; SMN2 2143/4885PLEC 2850/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH TP53 4870/4885SMN1; SMN2 2143/4885PLEC 2850/4885

“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.