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Sugi Predict / Compounds / SCHEMBL17048992

SCHEMBL17048992

SCHEMBL17048992

COc1cccc(OC)c1C(=O)CN(Cc1cc(F)cc(F)c1)C(=O)c1cnn([C@H]2CC[C@H](C(=O)O)CC2)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.35
▸ LPAR5 Q9H1C0 5/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LTC4S Q16873 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ HCRTR2 O43614 3/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ HCRTR1 O43613 2/20 0.32
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32

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
SCHEMBL17097660 1.00 LPAR1 (0.35) LPAR1LPAR5ALDH1A1TAS2R14KDM4E
SCHEMBL17048972 0.96 ALDH1A1 (0.34) LPAR1LPAR5ALDH1A1TAS2R14KDM4E
SCHEMBL17098141 0.96 ALDH1A1 (0.35) LPAR1LPAR5ALDH1A1TAS2R14KDM4E
SCHEMBL17098144 0.96 ALDH1A1 (0.35) LPAR1LPAR5ALDH1A1TAS2R14KDM4E
SCHEMBL17048970 0.96 ALDH1A1 (0.34) LPAR1LPAR5ALDH1A1TAS2R14KDM4E
SCHEMBL17098174 0.93 ALDH1A1 (0.32) ALDH1A1TAS2R14MEN1KMT2A
SCHEMBL17098179 0.93 ALDH1A1 (0.32) ALDH1A1TAS2R14MEN1KMT2A
SCHEMBL17099186 0.91 EGFR (0.36) LPAR1LPAR5ALDH1A1KDM4ELMNA
SCHEMBL17099185 0.91 EGFR (0.36) LPAR1LPAR5ALDH1A1KDM4ELMNA
SCHEMBL20103809 0.90 LPAR1 (0.32) LPAR1LPAR5ALDH1A1KDM4ELMNA

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 11 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-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 — — EP disclosed
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-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 LPAR1 2474/4885LPAR5 1505/4885ALDH1A1 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.