SCHEMBL3048427

SCHEMBL3048427

CC(C)c1ccc(Nc2nccs2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.50
ADORA2A P29274 3/20 0.41
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
KDR P35968 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3038079 0.81 PLA2G7 (0.65) PLA2G7ADORA2AKDRNPC1RAB9A
SCHEMBL3044208 0.78 MAPT (0.52) PLA2G7LMNASMN1; SMN2KDRKDM4E
SCHEMBL3049191 0.77 SMN1; SMN2 (0.53) PLA2G7LMNASMN1; SMN2KDRKDM4E
SCHEMBL3034620 0.77 PLA2G7 (0.50) PLA2G7ADORA2ASMN1; SMN2TDP1MEN1
SCHEMBL3042394 0.76 PLA2G7 (0.41) PLA2G7KDM4ETDP1L3MBTL1MEN1
SCHEMBL3047117 0.75 PLA2G7 (0.48) PLA2G7ADORA2ALMNASMN1; SMN2KDR
SCHEMBL11589381 0.75 PLA2G7 (0.51) PLA2G7ADORA2ALMNANPC1RAB9A
SCHEMBL3038930 0.74 PLA2G7 (0.47) PLA2G7SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL11588523 0.74 MAPT (0.49) PLA2G7ADORA2ALMNASMN1; SMN2SCN1A
SCHEMBL11588632 0.74 PTGS2 (0.50) PLA2G7ADORA2ALMNASMN1; SMN2SCN1A

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-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 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-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 PLA2G7 4400/4885ADORA2A 2102/4885TRPA1 2955/4885

“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.