SCHEMBL325862

SCHEMBL325862

COC(=O)c1sc(C#CC(C)C)cc1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 7/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL10265400 0.82 MAPT (0.35) MAPTKMT2AHSD17B10TSHRLMNA
SCHEMBL668964 0.82 MAPT (0.35) MAPTKMT2AHSD17B10TSHRLMNA
SCHEMBL325928 0.79 MAPT (0.35) MAPTKMT2AHSD17B10TSHRLMNA
SCHEMBL10265303 0.73 RAF1 (0.50) MAPTKMT2AHSD17B10TSHRLMNA
SCHEMBL325328 0.72 MAPT (0.34) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL669499 0.72 ACACB (0.35) KDM4EATMACACB
SCHEMBL10265057 0.71 KDM4E (0.51) MAPTKMT2AHSD17B10TSHRKDM4E
SCHEMBL15124034 0.71 KDM4E (0.51) MAPTKMT2AHSD17B10TSHRKDM4E
SCHEMBL28291594 0.71 MAPT (0.44) MAPTKMT2AHSD17B10TSHRLMNA
SCHEMBL325099 0.70 TBK1 (0.37) MAPTLMNAKDM4EALDH1A1RAF1

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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
EP-2585447-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-05-01 EP disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SLC10A1, ACE, CEL MAPT 410/4885KMT2A 4247/4885HSD17B10 862/4885

“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.