SCHEMBL15730587

SCHEMBL15730587

Cn1nc(C(F)(F)F)cc1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
TLR8 Q9NR97 1/20 0.39
PLAT P00750 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PSMB8 P28062 1/20 0.36
PSMB9 P28065 1/20 0.36
CRACR2A Q9BSW2 7/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL25646885 0.98 TLR8 (0.41) TSHRPOLBTLR8PLATKDM4E
SCHEMBL12672148 0.93 TSHR (0.45) TSHRPOLBPLATKDM4EALDH1A1
SCHEMBL5214306 0.85 PLAT (0.54) TSHRPOLBPLAT
SCHEMBL25276981 0.84 PLAT (0.41) TSHRPOLBPLATKDM4EALDH1A1
SCHEMBL25271935 0.79 POLB (0.37) TSHRPOLBPLATKDM4EALDH1A1
SCHEMBL20371631 0.79 POLB (0.46) TSHRPOLBTLR8PLATKDM4E
SCHEMBL14555383 0.79 MAP3K12 (0.43) TSHRPOLBTLR8PLATKDM4E
SCHEMBL25647007 0.78 POLB (0.45) TSHRPOLBTLR8PLATKDM4E
SCHEMBL13093345 0.77 KDM4E (0.44) TSHRPOLBKDM4E
SCHEMBL25647104 0.76 NR3C2 (0.40) TSHRPOLBTLR8PLATKDM4E

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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (2 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TSHR 4824/4885POLB 1747/4885TLR8 2579/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TSHR 4824/4885POLB 1747/4885TLR8 2579/4885

“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.