SCHEMBL17700106

SCHEMBL17700106

Cc1cc(NCC(F)(F)F)nc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.40
▸ POLB P06746 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ AGO2 Q9UKV8 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ IL1B P01584 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL17700671 0.83 NUDT1 (0.42) POLBGAAMAPTTLR8PDE4A
SCHEMBL2287049 0.80 KMT2A (0.49) ADORA2APOLBGAATLR8ALDH1A1
SCHEMBL12230238 0.76 MAPT (0.45) POLBGAAMAPTTLR8PDE4A
SCHEMBL16219598 0.75 GAA (0.42) POLBGAAMAPTTLR8PDE4A
SCHEMBL17700480 0.75 KMT2A (0.50) GAAMAPTKDM4ELMNAMEN1
SCHEMBL17700215 0.74 THRB (0.45) ADORA2AKDM4ETP53IL1BNLRP3
SCHEMBL17700235 0.73 NUDT1 (0.47) TLR8ALDH1A1LMNAHSD17B10
SCHEMBL793136 0.72 MAPT (0.42) POLBGAAMAPTTLR8PDE4A
SCHEMBL11981653 0.72 ALDH1A1 (0.56) POLBGAAMAPTTLR8KDM4E
SCHEMBL17700195 0.70 NPSR1 (0.49) POLBGAAKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 — — EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 — — US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 — — EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 — — 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 ADORA2A 2983/4885POLB 4857/4885GAA 2673/4885

“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.

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