SCHEMBL5771057

SCHEMBL5771057

[CH2]P(=O)(OCCCC)OCCCC

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
LPAR3 Q9UBY5 5/20 0.48
LPAR1 Q92633 3/20 0.48
LPAR2 Q9HBW0 3/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6628239 0.92 LPAR3 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL6625591 0.90 LPAR3 (0.61) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL6626520 0.83 CYP3A4 (0.42) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL6626611 0.80
SCHEMBL1020179 0.78 CYP3A4 (1.00) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL18570 0.78 CYP3A4 (1.00) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11830671 0.78 CYP3A4 (0.70) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL27895927 0.78 CYP3A4 (1.00) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL2866705 0.76 CYP3A4 (0.67) CYP3A4LPAR3LPAR1LPAR2TSHR
Water SCHEMBL11499396 0.76 CYP3A4 (0.94) CYP3A4LPAR3LPAR1LPAR2TSHR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
EP-1227098-B1 TRIAZOLOPURINE DERIVATIVES, DRUG COMPOSITIONS CONTAINING THE SAME AND ADENOSINE A3 RECEPTOR AFFINITIVE AGENTS OTSUKA PHARMA CO LTD (JP) 2004-04-28 EP disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
US-6686343-B1 Triazolopurine derivatives, pharmaceutical compositions containing the derivatives, and adenosine A3 receptor affinitive agents OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-02-03 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed
EP-1227098-A1 TRIAZOLOPURINE DERIVATIVES, DRUG COMPOSITIONS CONTAINING THE SAME AND ADENOSINE A3 RECEPTOR AFFINITIVE AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-07-31 EP disclosed
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR CYP3A4 39/4885LPAR3 2790/4885LPAR1 4480/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CYP3A4 76/4885LPAR3 4232/4885LPAR1 4447/4885

“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.