SCHEMBL195475

SCHEMBL195475

C=CC([CH]CCCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.42
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
EP300 Q09472 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34

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
SCHEMBL9264648 0.77 OR51E2 (0.33) TSHR
SCHEMBL196197 0.74
Butanal SCHEMBL8386954 0.73 ALDH1A1 (0.50) GRIK1GPR84FFAR1TSHRALDH1A1
SCHEMBL19521483 0.72 FAAH (0.33) GRIK1
SCHEMBL3249505 0.72 GRIK1 (0.39) GRIK1GPR84FFAR1ALDH1A1CA2
SCHEMBL11884349 0.72
SCHEMBL190183 0.69
SCHEMBL15367505 0.69 CA2 (0.47) GRIK1GPR84FFAR1TSHRF7
SCHEMBL7780044 0.69 EP300 (0.44) F7F3CA2MAPK1MAPT
Bicarbonate SCHEMBL702764 0.69 TSHR (0.74) TSHRALDH1A1F7F3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373493-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH ENHANCED IMID ACTIVITY Nurix Therapeutics, Inc. (US) 2024-05-29 EP disclosed
EP-4370123-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH DIMINISHED IMID ACTIVITY Nurix Therapeutics, Inc. (US) 2024-05-22 EP disclosed
WO-2024086296-A1 COMPOUNDS USEFUL IN MODULATING EGFR AND PI3K MEKANISTIC THERAPEUTICS LLC (US) 2024-04-25 WO disclosed
US-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2024-04-18 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
EP-4334302-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
US-11918569-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same POXEL SA (FR) 2024-03-05 US disclosed
US-11905287-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL (GB) 2024-02-20 US disclosed
WO-2024028601-A1 1,2-SUBSTITUTED 3-OXOPYRAZOLIDINE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES HEPTARES THERAPEUTICS LIMITED (GB) 2024-02-08 WO disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED 2007-04-19 US disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
WO-2007022459-A2 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 WO disclosed
WO-2007016589-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-08 WO disclosed
WO-2006127588-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO disclosed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 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 (9 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-20070054911-A1 Muscarinic modulators CHRM3, CHRM5, CHRM4 GRIK1 215/4885GPR84 28/4885FFAR1 137/4885
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections PRSS1, CTRL, TMPRSS2 GRIK1 3790/4885GPR84 4216/4885FFAR1 2259/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 GRIK1 3334/4885GPR84 4224/4885FFAR1 4181/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIK1 3761/4885GPR84 409/4885FFAR1 831/4885
US-20070105833-A1 Modulators of ATP-binding cassette transporters ABCC4, CFTR, ABCC2 GRIK1 3716/4885GPR84 533/4885FFAR1 1208/4885
US-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY CBL, XIAP, BTK GRIK1 4371/4885GPR84 4336/4885FFAR1 4721/4885
US-11918569-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same SLC5A2, PPARD, DPP4 GRIK1 1748/4885GPR84 774/4885FFAR1 1190/4885
US-11905287-B2 4-substitued cytisine analogues CES2, CDA, PCYT1A GRIK1 1207/4885GPR84 1085/4885FFAR1 3807/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 GRIK1 186/4885GPR84 28/4885FFAR1 139/4885

“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.