SCHEMBL3434137

SCHEMBL3434137

CC(F)(F)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TACR1 P25103 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
SCHEMBL1065786 0.83 TSHR (0.44) TSHRIDO1AGXTPTPN1ALDH1A1
SCHEMBL10202767 0.83 TSHR (0.44) TSHRIDO1AGXTPTPN1ALDH1A1
SCHEMBL726130 0.81 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL11625744 0.81 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL10940340 0.81 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL5016440 0.81 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL267071 0.81 TSHR (0.52) TSHRIDO1AGXTPTPN1ALDH1A1
SCHEMBL2779795 0.79 TSHR (0.46) TSHRIDO1AGXTPTPN1ALDH1A1
SCHEMBL12273858 0.79 PTPN1 (0.42) TSHRIDO1AGXTPTPN1ALDH1A1
SCHEMBL16886241 0.79 TSHR (0.41) TSHRIDO1AGXTPTPN1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
EP-2588197-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2014-11-05 EP disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-8754103-B2 2014-06-17 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 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 (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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E TSHR 1243/4885IDO1 4136/4885AGXT 4035/4885
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 TSHR 2589/4885IDO1 3743/4885AGXT 2062/4885

“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.