Sugi Predict

Sugi Predict / Compounds / SCHEMBL4767889

SCHEMBL4767889

SCHEMBL4767889

C[C@H](C(=O)O)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.61
▸ PTGS1 P23219 7/20 0.57
▸ AKR1C3 P42330 5/20 0.57
▸ CYP2C9 P11712 4/20 0.57
▸ AKR1C2 P52895 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ CXCR1 P25024 2/20 0.57
▸ CXCR2 P25025 2/20 0.57
▸ SLC22A6 Q4U2R8 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ ALB P02768 1/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ ALOX5 P09917 1/20 0.57
▸ RARB P10826 1/20 0.57
▸ ADRB3 P13945 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ NR1I3 Q14994 1/20 0.57
▸ CXCL8 P10145 1/20 0.57
▸ BLM P54132 1/20 0.57

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
SCHEMBL185702 1.00 PTGS2 (0.61) PTGS2PTGS1AKR1C3CYP2C9AKR1C2
SCHEMBL1711069 1.00 PTGS2 (0.61) PTGS2PTGS1AKR1C3CYP2C9AKR1C2
Hydrochloric Acid SCHEMBL9716491 0.98 PTGS2 (0.59) PTGS2PTGS1AKR1C3CYP2C9AKR1C2
SCHEMBL9592228 0.94 PTGS2 (0.71) PTGS2PTGS1AKR1C3CYP2C9AKR1C2
SCHEMBL59197 0.88 PTGS2 (0.74) PTGS2PTGS1AKR1C3CYP2C9AKR1C2
Fluorobenzene SCHEMBL28140330 0.87 PTGS2 (0.62) PTGS2PTGS1AKR1C3CYP2C9AKR1C2
SCHEMBL20029953 0.86 GRM7 (0.46) PTGS2PTGS1AKR1C3CYP2C9AKR1C2
SCHEMBL23003791 0.84 GRM7 (0.47) PTGS2LMNAKMT2AGRM7
SCHEMBL10443227 0.83 GRM7 (0.44) PTGS2PTGS1AKR1C3CYP2C9AKR1C2
SCHEMBL20130289 0.82 GRM7 (0.46) PTGS2LMNAKMT2AGRM7

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 — — EP disclosed
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 — — EP disclosed
US-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-11 — — US disclosed
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2019-11-14 — — US disclosed
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2019-11-14 — — US disclosed
EP-3541812-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS Takeda Pharmaceutical Company Limited (JP) 2019-09-25 — — EP disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 — — US disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 — — US disclosed
EP-3408256-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS Takeda Pharmaceutical Company Limited (JP) 2018-12-05 — — EP disclosed
CN-108602760-A Indane derivatives as MG L UR7 modulators 武田药品工业株式会社 2018-09-28 — — CN disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 — — US disclosed
CN-1735595-A Substituted alkyl amido piperidines LUNDBECK & CO AS H (DK) 2006-02-15 — — CN disclosed
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 — — EP disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 — — US disclosed
WO-2004064764-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2004-08-05 — — WO disclosed
CN-1488620-A 2-phenyl-camphol propionate derivativ and synthesizing method thereof 中国科学院长春应用化学研究所 2004-04-14 — — CN disclosed
US-6054456-A Substituted piperazine derivatives MERCK SHARP & DOHME LTD. (GB) 2000-04-25 — — US disclosed
US-5973156-A Piperidine and tetrahydropyridine derivatives MERCK SHARP & DOME LTD. (GB) 1999-10-26 — — US disclosed
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 — — EP disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 — — 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 (5 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-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions GRM7, GRM2, GRM1 PTGS2 1335/4885PTGS1 1066/4885AKR1C3 3218/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R PTGS2 3508/4885PTGS1 1552/4885AKR1C3 641/4885
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 PTGS2 1091/4885PTGS1 1005/4885AKR1C3 4354/4885
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS GRM7, GRM2, GRM1 PTGS2 1335/4885PTGS1 1066/4885AKR1C3 3218/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R PTGS2 3508/4885PTGS1 1552/4885AKR1C3 641/4885

“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.