SCHEMBL4054470

SCHEMBL4054470

FC(F)(F)Oc1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.47
P2RY14 Q15391 3/20 0.46
MAPT P10636 1/20 0.45
GPR119 Q8TDV5 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
LCLAT1 Q6UWP7 2/20 0.43
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
GRM5 P41594 1/20 0.42
S1PR1 P21453 1/20 0.41
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL4059615 0.85 RAB9A (0.60) MAPTGPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4055495 0.84 NPC1 (0.58) P2RY14MAPTGPR119NPC1RAB9A
SCHEMBL4055539 0.84 GPR119 (0.45) MAPTGPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4050933 0.84 ALOX5 (0.47) MAPTGPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4059581 0.82 VSIR (0.54) MAPTGPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4052985 0.82 ALDH1A1 (0.60) MAPTGPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4050856 0.82 GPR119 (0.55) MAPTGPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4054930 0.81 P2RY14 (0.49) P2RY14MAPTGPR119NPC1RAB9A
SCHEMBL4057847 0.81 VSIR (0.56) ADORA1P2RY14MAPTGPR119NPC1
SCHEMBL4055547 0.81 GPR119 (0.43) MAPTGPR119NPC1RAB9ASMN1; SMN2

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B ADORA1 3592/4885P2RY14 3595/4885MAPT 4026/4885

“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.