SCHEMBL2157618

SCHEMBL2157618

CC(C)N(C(=O)C1CCCCCC1)c1csc(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
USP30 Q70CQ3 2/20 0.40
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
THRB P10828 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 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
SCHEMBL2157448 1.00 NPSR1 (0.42) NPSR1USP30KDM4EAPAF1TSHR
SCHEMBL14049051 0.88 USP30 (0.37) NPSR1USP30KDM4ETP53CNR1
SCHEMBL2158434 0.84 FASN (0.42) NPSR1USP30HDAC3HDAC1HDAC2
SCHEMBL2158507 0.83 FASN (0.43) USP30
SCHEMBL6228471 0.80 GRM5 (0.38) USP30KDM4EMAPTTHRBADORA1
SCHEMBL2157917 0.80 HTT (0.43) USP30KDM4ETSHRHSD17B10MAPT
SCHEMBL2157590 0.77 CPB1 (0.44) USP30KDM4ETSHRHSD17B10MAPT
SCHEMBL3809446 0.77 NPSR1 (0.41) NPSR1KDM4EMAPT
SCHEMBL3809121 0.77 NPSR1 (0.41) NPSR1KDM4EMAPT
SCHEMBL14505571 0.77 NPSR1 (0.43) NPSR1KDM4EAPAF1TSHRHSD17B10

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-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS NPSR1 2975/4885USP30 2735/4885KDM4E 3220/4885

“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.