SCHEMBL2834718

SCHEMBL2834718

CCC(C)OP(=O)(O)CCCBr

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
SMPD1 P17405 3/20 0.31
PLA2G2C Q5R387 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
PPARD Q03181 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
SCHEMBL4623191 0.95 PLA2G2C (0.33) MMP1MMP2MMP3SMPD1PLA2G2C
Hydrochloric Acid SCHEMBL4879969 0.93 PLA2G2C (0.32) MMP1MMP2MMP3PLA2G2CTRPM8
SCHEMBL1039032 0.89 PPARD (0.32) MMP1MMP2MMP3PPARD
SCHEMBL779433 0.85 TRPM8 (0.45) SMPD1TRPM8
SCHEMBL4158403 0.83 PPARD (0.39) MMP1MMP2MMP3SMPD1PLA2G2C
SCHEMBL16427895 0.81 LPAR3 (0.50) SMPD1TRPM8
SCHEMBL11649168 0.81 LPAR3 (0.50) SMPD1TRPM8
SCHEMBL14890431 0.81 LPAR3 (0.50) SMPD1TRPM8
SCHEMBL864318 0.81 CYP1A2 (0.47) PLA2G2C
SCHEMBL10799957 0.81 LPAR3 (0.50) SMPD1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567513-A Self-assembled monolayer hole transport material containing bisphosphonic acid terminal group, preparation method and application 南开大学 2024-02-20 CN disclosed
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
EP-2880028-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-06-10 EP disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
WO-2014022528-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 WO disclosed
WO-2014019186-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 WO disclosed
US-7795255-B2 Rigidified compounds for modulating heparanase activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2010-09-14 US disclosed
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
EP-1418902-A4 NOVEL METHODS AND COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF DYSMENORRHOEA AND MENSTRUAL SIDE EFFECTS: THE USE OF PHOSPHOLIPASE INHIBITORS UNIV QUEENSLAND (AU) 2007-06-13 EP disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 US disclosed
WO-2006072953-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2006-07-13 WO disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20040247639-A1 Novel methods and compositions for the treatment or prevention of dysmenorrhoea and menstrual side effects: the use of phospholipase inhibitors QUEENSLAND, THE UNIVERSITY OF (AU) 2004-12-09 US disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 WO disclosed
EP-1418902-A1 NOVEL METHODS AND COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF DYSMENORRHOEA AND MENSTRUAL SIDE EFFECTS: THE USE OF PHOSPHOLIPASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2004-05-19 EP disclosed
WO-2002005808-A1 NOVEL METHODS AND COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF DYSMENORRHOEA AND MENSTRUAL SIDE EFFECTS: THE USE OF PHOSPHOLIPASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2002-01-24 WO disclosed
US-4026709-A Color photographic recording material CIBA-GEIGY AG (CH) 1977-05-31 US disclosed
US-3984432-A PHOSPHONIC ACID AND PHOSPHORIC ACID DERIVATIVES CIBA-GEIGY AG (CH) 1976-10-05 US 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 (4 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-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 MMP1 4760/4885MMP2 4000/4885MMP3 4204/4885
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 MMP1 4760/4885MMP2 4000/4885MMP3 4204/4885
US-20040247639-A1 Novel methods and compositions for the treatment or prevention of dysmenorrhoea and menstrual side effects: the use of phospholipase inhibitors PLA2G12A, PLA2G1B, PLA2G2E MMP1 737/4885MMP2 328/4885MMP3 150/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES MMP1 308/4885MMP2 1015/4885MMP3 487/4885

“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.