Sugi Predict

Sugi Predict / Compounds / SCHEMBL17048997

SCHEMBL17048997

SCHEMBL17048997

O=C(CN(Cc1ccc(F)cc1)C(=O)c1cnn([C@H]2CC[C@H](C(=O)O)CC2)c1C(F)(F)F)c1c(Cl)cncc1Cl

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 7/20 0.34
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CCR5 P51681 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SPR P35270 1/20 0.31
▸ UBE2M P61081 1/20 0.31
▸ DCUN1D1 Q96GG9 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL17098647 1.00 TAS2R14 (0.34) TAS2R14GAAALDH1A1MAPTKDM4E
SCHEMBL17097855 1.00 TAS2R14 (0.34) TAS2R14GAAALDH1A1MAPTKDM4E
SCHEMBL17099157 0.95 TAS2R14 (0.33) TAS2R14GAAALDH1A1MAPTKDM4E
SCHEMBL17099160 0.95 TAS2R14 (0.33) TAS2R14GAAALDH1A1MAPTKDM4E
SCHEMBL17098714 0.95 ALDH1A1 (0.34) TAS2R14GAAALDH1A1MAPTKDM4E
SCHEMBL17099221 0.95 ALDH1A1 (0.34) TAS2R14GAAALDH1A1MAPTKDM4E
SCHEMBL17097874 0.94 CCR5 (0.33) TAS2R14ALDH1A1CCR5SMN1; SMN2MEN1
SCHEMBL17110623 0.94 TAS2R14 (0.35) TAS2R14GAAALDH1A1MAPTKDM4E
SCHEMBL17097870 0.94 CCR5 (0.33) TAS2R14ALDH1A1CCR5SMN1; SMN2MEN1
SCHEMBL17098186 0.94 MCHR1 (0.34) TAS2R14GAAALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 — — US claimed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 — — US claimed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 — — EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 — — US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 — — US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 — — US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 — — US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 — — US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 — — 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 (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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA TAS2R14 2628/4885GAA 3413/4885ALDH1A1 923/4885

“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.