Sugi Predict

Sugi Predict / Compounds / SCHEMBL3473748

SCHEMBL3473748

SCHEMBL3473748

CSc1cc(Br)ccc1CO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.43
▸ SLC6A2 P23975 3/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ SLC6A3 Q01959 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ PYCR1 P32322 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL16952861 0.84 SLC6A4 (0.54) SLC6A4SLC6A2PTGDR2APOBEC3GSLC6A3
SCHEMBL18621145 0.82 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3ALDH1A1HRH3
SCHEMBL12068086 0.80 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3ALDH1A1HRH3
SCHEMBL15897837 0.80 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3ALDH1A1HRH3
SCHEMBL15897798 0.78 ABCB11 (0.40) PTGDR2MAPTLMNASMN1; SMN2MEN1
SCHEMBL96672 0.78 APOBEC3G (0.39) SLC6A4SLC6A2APOBEC3GSLC6A3MEN1
SCHEMBL22592566 0.78 TYR (0.40) APOBEC3GMAPTALOX15MEN1KMT2A
SCHEMBL21227644 0.77 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HRH3IDO1
SCHEMBL25600071 0.76 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3ALDH1A1HRH3
SCHEMBL15897819 0.76 CSNK2A1 (0.45) SLC6A4SLC6A2SLC6A3ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 — — US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 — — US disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 — — EP disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 — — EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 — — US disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 — — US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 — — EP disclosed
EP-3625222-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 — — EP disclosed
CN-110612296-A Phenyl derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 — — CN disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 — — CN disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 — — US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 — — US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 — — US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 — — US disclosed
EP-1910308-A1 IMIDAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 — — EP disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 — — EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — 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 (6 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 SLC6A4 2252/4885SLC6A2 4220/4885PTGDR2 9/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 SLC6A4 2318/4885SLC6A2 4305/4885PTGDR2 6/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 SLC6A4 2467/4885SLC6A2 4290/4885PTGDR2 9/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 SLC6A4 2467/4885SLC6A2 4290/4885PTGDR2 9/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 SLC6A4 3824/4885SLC6A2 2797/4885PTGDR2 135/4885
US-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 SLC6A4 3355/4885SLC6A2 2919/4885PTGDR2 408/4885

“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.