SCHEMBL3175383

SCHEMBL3175383

CCC(N)(CC)CCP(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.60
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
FDPS P14324 4/20 0.43
ALDH1A1 P00352 1/20 0.40
LPAR3 Q9UBY5 3/20 0.39
LPAR2 Q9HBW0 1/20 0.39
SMPD1 P17405 2/20 0.38
TYMS P04818 1/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
ANPEP P15144 1/20 0.37
ENPP2 Q13822 1/20 0.36
LAP3 P28838 1/20 0.36

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
Oxalic Acid SCHEMBL3175190 0.92 GRM4 (0.52) GRM4S1PR2S1PR4S1PR1S1PR3
SCHEMBL16107520 0.86 GRM4 (0.50) GRM4S1PR2S1PR4S1PR1S1PR3
SCHEMBL17964390 0.85 LPAR3 (0.50) GRM4S1PR2S1PR4S1PR1S1PR3
SCHEMBL16107479 0.83 LPAR3 (0.54) GRM4S1PR2S1PR4S1PR1S1PR3
SCHEMBL6776497 0.77 GRM4 (0.56) GRM4S1PR2S1PR4S1PR1S1PR3
Phosphoric Acid SCHEMBL4405672 0.76 FDPS (0.46) GRM4S1PR1S1PR3FDPSLPAR3
SCHEMBL5063485 0.75 GRM4 (1.00) GRM4FDPSALDH1A1LPAR3LPAR2
Ammonia Solution, Strong SCHEMBL10336251 0.75 FDPS (0.41) GRM4FDPSSMPD1LAP3
SCHEMBL1378555 0.75 FDPS (0.41) GRM4FDPSLPAR3LPAR2SMPD1
SCHEMBL9643758 0.73 GRM4 (0.50) GRM4FDPSALDH1A1LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973583-B1 PREPARATION OF AN INORGANIC SUBSTRATE HAVING ANTIMICROBIAL PROPERTIES CENTRE NAT RECH SCIENT (FR) 2016-09-14 EP claimed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-9409125-B2 Method of increasing mass transfer rate of acid gas scrubbing solvents THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-08-09 US disclosed
US-20150196875-A1 METHOD OF INCREASING MASS TRANSFER RATE OF ACID GAS SCRUBBING SOLVENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2015-07-16 US disclosed
US-20140294705-A1 METHOD OF INCREASING MASS TRANSFER RATE OF ACID GAS SCRUBBING SOLVENTS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-10-02 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-20050197320-A1 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. 2005-09-08 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1501841-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2005-02-02 EP disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096818-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES, INC. 2004-06-24 US disclosed
WO-2003090691-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
WO-2003091264-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2003-11-06 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-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 GRM4 454/4885S1PR2 31/4885S1PR4 12/4885
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS GRM4 1862/4885S1PR2 4150/4885S1PR4 2375/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG GRM4 794/4885S1PR2 786/4885S1PR4 666/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES GRM4 1389/4885S1PR2 1025/4885S1PR4 905/4885
US-20150196875-A1 METHOD OF INCREASING MASS TRANSFER RATE OF ACID GAS SCRUBBING SOLVENTS TST, SORD, SPOUT1 GRM4 2742/4885S1PR2 2420/4885S1PR4 2593/4885
US-20050197320-A1 Non nucleoside reverse transcriptase inhibitors TYMP, PNP, ITPA GRM4 4255/4885S1PR2 3224/4885S1PR4 2695/4885
US-20140294705-A1 METHOD OF INCREASING MASS TRANSFER RATE OF ACID GAS SCRUBBING SOLVENTS TST, SORD, SPOUT1 GRM4 2489/4885S1PR2 1885/4885S1PR4 2085/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN GRM4 3161/4885S1PR2 1347/4885S1PR4 1030/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 GRM4 441/4885S1PR2 29/4885S1PR4 12/4885

“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.