SCHEMBL1365236

SCHEMBL1365236

CCCCC(C(=O)O)C(CC)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.58
MAPK1 P28482 1/20 0.58
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 4/20 0.45
GPR84 Q9NQS5 3/20 0.45
FFAR1 O14842 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44

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
SCHEMBL3996051 0.98 CA2 (0.56) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL28453202 0.96 CA2 (0.54) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL28312932 0.93 GPR84 (0.54) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL152526 0.93 CA2 (0.58) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL8816556 0.91 GPR84 (0.57) CA2MAPK1GPR84FFAR1MAPT
SCHEMBL11390310 0.91 GPR84 (0.57) CA2MAPK1GPR84FFAR1MAPT
SCHEMBL27878051 0.91 GPR84 (0.57) CA2MAPK1GPR84FFAR1MAPT
SCHEMBL337541 0.91 GPR84 (0.57) CA2MAPK1GPR84FFAR1MAPT
SCHEMBL7295527 0.91 GPR84 (0.57) CA2MAPK1GPR84FFAR1MAPT
SCHEMBL28159626 0.90 TDP1 (0.46) CA2MAPK1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4065113-B1 (R)-4-(1-(6-(4-(TRIFLUOROMETHYL)BENZYL)-6-AZASPIRO[2.5]OCTANE-5-CARBOXAMIDO)-CYCLOPROPYL) BENZOIC ACID OR ITS SALT ALSO IN POLYMORPHIC FORM A FOR USE IN THE PREVENTION OF HETEROTOPIC OSSIFICATION Rottapharm Biotech Srl (IT) 2024-01-10 EP disclosed
US-11590114-B2 Pharmaceutical combination of an EP4 antagonist and immune checkpoint inhibitors for the treatment of tumours ROTTAPHARM BIOTECH S.R.L. (IT) 2023-02-28 US disclosed
EP-3953393-B1 PHARMACEUTICAL COMBINATION OF AN EP4 ANTAGONIST AND IMMUNE CHECKPOINT INHIBITORS FOR THE TREATMENT OF TUMOURS Rottapharm Biotech Srl (IT) 2022-12-14 EP disclosed
CN-109661398-B Spiro-lactam and di-spiro-lactam NMDA receptor modulators and uses thereof 阿普廷伊克斯股份有限公司 2022-07-05 CN disclosed
US-20220142996-A1 PHARMACEUTICAL COMBINATION OF AN EP4 ANTAGONIST AND IMMUNE CHECKPOINT INHIBITORS FOR THE TREATMENT OF TUMOURS ROTTAPHARM BIOTECH S.R.L. (IT) 2022-05-12 US disclosed
EP-3953393-A1 PHARMACEUTICAL COMBINATION OF AN EP4 ANTAGONIST AND IMMUNE CHECKPOINT INHIBITORS FOR THE TREATMENT OF TUMOURS Rottapharm Biotech S.r.l. (IT) 2022-02-16 EP disclosed
WO-2021105419-A1 (R)-4-(1-(6-(4-(TRIFLUOROMETHYL)BENZYL)-6-AZASPIRO[2.5]OCTANE-5-CARBOXAMIDO)-CYCLOPROPYL) BENZOIC ACID OR ITS SALT ALSO IN POLYMORPHIC FORM A FOR USE IN THE PREVENTION OF HETEROTOPIC OSSIFICATION ROTTAPHARM BIOTECH S.R.L. (IT) 2021-06-03 WO disclosed
EP-3827828-A1 (R)-4-(1-(6-(4-(TRIFLUOROMETHYL)BENZYL)-6-AZASPIRO[2.5]OCTANE-5-CARBOXAMIDO)-CYCLOPROPYL) BENZOIC ACID OR ITS SALT ALSO IN POLYMORPHIC FORM A FOR USE IN THE PREVENTION OF HETEROTOPIC OSSIFICATION Rottapharm Biotech S.r.l. (IT) 2021-06-02 EP disclosed
WO-2020208088-A1 PHARMACEUTICAL COMBINATION OF AN EP4 ANTAGONIST AND IMMUNE CHECKPOINT INHIBITORS FOR THE TREATMENT OF TUMOURS ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO disclosed
CN-106608841-B The preparation method of 2- cyano -2,3- dialkyl succinic acid dialkyl ester class compounds 中国石油化工股份有限公司 2018-06-12 CN disclosed
EP-1607448-A2 Surface modified silica gels Degussa AG (DE) 2005-12-21 EP disclosed
EP-0971981-B1 EMULSIFIERS FOR AMINO RESINS BASF AG (DE) 2004-10-13 EP disclosed
EP-0971973-B1 SOLUTIONS OF AMINOTRIAZINE RESINS IN MONOALKYLGLYCOLS BASF AG (DE) 2001-10-24 EP disclosed
EP-0971981-A1 EMULSIFIERS FOR AMINO RESINS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
EP-0971973-A1 SOLUTIONS OF AMINOTRIAZINE RESINS IN MONOALKYLGLYCOLS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1998045370-A1 EMULSIFIERS FOR AMINO RESINS BASF AKTIENGESELLSCHAFT (DE) 1998-10-15 WO disclosed
WO-1998045354-A1 SOLUTIONS OF AMINOTRIAZINE RESINS IN MONOALKYLGLYCOLS BASF AKTIENGESELLSCHAFT (DE) 1998-10-15 WO disclosed
WO-1998045353-A1 PROCESS FOR PREPARING AMINO RESIN EMULSIONS BASF AKTIENGESELLSCHAFT (DE) 1998-10-15 WO disclosed
EP-0269079-B1 METAL-FREE TRANSPARENT, FINELY DIVIDED PHTHALOCYANINE OF THE X MODIFICATION, AND ITS USE AS A PIGMENT BASF Aktiengesellschaft (DE) 1993-04-21 EP disclosed
EP-0269079-A2 Metal-free transparent, finely divided phthalocyanine of the X modification, and its use as a pigment BASF Aktiengesellschaft (DE) 1988-06-01 EP 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 (2 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-20220142996-A1 PHARMACEUTICAL COMBINATION OF AN EP4 ANTAGONIST AND IMMUNE CHECKPOINT INHIBITORS FOR THE TREATMENT OF TUMOURS PTGER4, EPB41, PTGER1 CA2 359/4885MAPK1 845/4885CHRM1 3388/4885
US-11590114-B2 Pharmaceutical combination of an EP4 antagonist and immune checkpoint inhibitors for the treatment of tumours PTGER4, EPB41, PTGER1 CA2 359/4885MAPK1 845/4885CHRM1 3388/4885

“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.