SCHEMBL2152162

SCHEMBL2152162

C=CCOC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TSHR P16473 2/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDUA P35475 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
SCHEMBL14584179 1.00 CYP3A4 (0.33) CYP3A4TSHRPOLBMAPK1GAA
SCHEMBL4096506 1.00 CYP3A4 (0.33) CYP3A4TSHRPOLBMAPK1GAA
SCHEMBL29044161 1.00 CYP3A4 (0.33) CYP3A4TSHRPOLBMAPK1GAA
SCHEMBL19155610 0.83 FUCA1 (0.33) CYP3A4TSHRPOLBMAPK1GAA
SCHEMBL712837 0.79 CYP3A4 (0.39) CYP3A4TSHRPOLBMAPK1GAA
SCHEMBL28475631 0.78 LGALS3 (0.33) IDUA
SCHEMBL2189191 0.77 TSHR (0.45) TSHR
SCHEMBL2189182 0.77 TSHR (0.45) TSHR
SCHEMBL28214269 0.77 AHCY (0.34) IDUA
SCHEMBL14614369 0.76 POLB (0.32) CYP3A4TSHRPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278817-B Polycyclic compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-05-16 CN disclosed
EP-3704107-B1 MULTICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-12 EP disclosed
EP-3704114-B1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 EP disclosed
US-11370785-B2 Multicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-28 US disclosed
CN-111278821-A Spiro compounds as farnesoid X receptor modulators 百时美施贵宝公司 2020-06-12 CN disclosed
US-7977339-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-07-12 US disclosed
EP-2010519-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-06 EP disclosed
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-12-09 US disclosed
US-7795265-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-09-14 US disclosed
US-20090227617-A1 Esters Of Glucuronide Prodrugs Of Anthracyclines And Method Of Preparation And Use In Tumor-Selective Chemotherapy PHARMACHEMIE B.V. (NL) 2009-09-10 US disclosed
WO-2006015263-A2 LONIDAMINE ANALOGS THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
EP-1476018-A4 IMMUNOSTIMULANT COMPOSITIONS COMPRISING AMINOALKYL GLUCOSAMINIDE PHOSPHATES AND SAPONINS CORIXA CORP (US) 2005-09-21 EP disclosed
EP-1476018-A1 IMMUNOSTIMULANT COMPOSITIONS COMPRISING AMINOALKYL GLUCOSAMINIDE PHOSPHATES AND SAPONINS CORIXA CORPORATION (US) 2004-11-17 EP disclosed
US-20040063647-A1 Novel amphipathic aldehydes and their use as adjuvants and immunoeffectors CORIXA CORPORATION 2004-04-01 US disclosed
US-6649172-B2 5-(p-carboxybenzyloxy)-2-oxybenzaldehyde derivatives; vaccine adjuvants CORIXA CORPORATION 2003-11-18 US disclosed
US-20030190333-A1 Immunostimulant compositions comprising aminoalkyl glucosaminide phosphates and saponins CORIXA CORPORATION (US) 2003-10-09 US disclosed
WO-2003069997-A1 IMMUNOSTIMULANT COMPOSITIONS COMPRISING AMINOALKYL GLUCOSAMINIDE PHOSPHATES AND SAPONINS CORIXA CORPORATION (US) 2003-08-28 WO disclosed
EP-1265840-A2 NOVEL AMPHIPATHIC ALDEHYDES AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2002-12-18 EP disclosed
US-20010053363-A1 Novel amphipathic aldehydes and their uses as adjuvants and immunoeffectors CORIXA CORPORATION 2001-12-20 US disclosed
WO-2001070663-A2 NOVEL AMPHIPATHIC ALDEHYDES AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2001-09-27 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-11370785-B2 Multicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, GPBAR1 CYP3A4 318/4885TSHR 792/4885POLB 4774/4885
US-20030190333-A1 Immunostimulant compositions comprising aminoalkyl glucosaminide phosphates and saponins DDOST, TLR6, ENPP2 CYP3A4 4187/4885TSHR 4542/4885POLB 2019/4885
US-20090227617-A1 Esters Of Glucuronide Prodrugs Of Anthracyclines And Method Of Preparation And Use In Tumor-Selective Chemotherapy GALE, UGGT1, UGT1A3 CYP3A4 76/4885TSHR 3312/4885POLB 2488/4885
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS CCKAR, CCKBR, GPR119 CYP3A4 1362/4885TSHR 140/4885POLB 4855/4885
US-20040063647-A1 Novel amphipathic aldehydes and their use as adjuvants and immunoeffectors MAVS, TLR3, LY96 CYP3A4 3205/4885TSHR 4086/4885POLB 2253/4885
US-20010053363-A1 Novel amphipathic aldehydes and their uses as adjuvants and immunoeffectors MAVS, TLR3, LY96 CYP3A4 3345/4885TSHR 4073/4885POLB 2279/4885

“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.