SCHEMBL3034633

SCHEMBL3034633

CC(C)=CCOc1cc(Nc2nccs2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.43
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GCK P35557 3/20 0.39
PTGS2 P35354 1/20 0.39
CDK9 P50750 2/20 0.38
CCNT1 O60563 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
PPIA P62937 1/20 0.38

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
SCHEMBL3049813 0.87 PLA2G7 (0.52) PLA2G7USP2GCKMEN1KMT2A
SCHEMBL3051288 0.87 ALDH1A1 (0.49) PLA2G7PTGS2MEN1KMT2AALDH1A1
SCHEMBL3047436 0.85 PLA2G7 (0.42) PLA2G7GCKCDK9CCNT1MEN1
SCHEMBL3042394 0.84 PLA2G7 (0.41) PLA2G7GCKCDK9CCNT1MEN1
SCHEMBL3047670 0.83 PLA2G7 (0.40) PLA2G7GCKMEN1KMT2ASMN1; SMN2
SCHEMBL3051130 0.83 PLA2G7 (0.40) PLA2G7GCKCDK9CCNT1MEN1
SCHEMBL13138528 0.82 ADRA2A (0.44) MAPTADRA2AADRA2BADRA2CADRA1D
SCHEMBL5330879 0.76 PLA2G7 (0.47) PLA2G7MAPTGCKMEN1KMT2A
SCHEMBL13138534 0.75 BRD4 (0.44) MAPTADRA2AADRA2BADRA2CADRA1D
SCHEMBL5305245 0.74 PLA2G7 (0.40) PLA2G7MAPTUSP2ESR2HSD17B10

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 4400/4885MAPT 1838/4885USP2 3712/4885

“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.