SCHEMBL12985688

SCHEMBL12985688

[CH2]CCCC(O)C(O)CC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.32
CYP2D6 P10635 2/20 0.31
LMNA P02545 2/20 0.31
GMNN O75496 1/20 0.31
POLB P06746 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CETP P11597 1/20 0.31
HTT P42858 1/20 0.31
UBE2N P61088 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
SCHEMBL3157898 0.82 LMNA (0.44) SPHK1TRPV1TRPA1TSHRCYP2D6
SCHEMBL3162311 0.80 LMNA (0.34) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL27808029 0.78 CYP2D6 (0.45) SPHK1TRPV1TRPA1CYP2D6LMNA
SCHEMBL28773249 0.78 SPHK1 (0.30) SPHK1TRPV1TRPA1
SCHEMBL427800 0.78 SPHK1 (0.46) SPHK1TSHRCYP2D6LMNAGMNN
SCHEMBL30506652 0.78 SPHK1 (0.46) SPHK1TSHRCYP2D6LMNAGMNN
SCHEMBL30506644 0.78 SPHK1 (0.46) SPHK1TSHRCYP2D6LMNAGMNN
SCHEMBL30506676 0.78 SPHK1 (0.46) SPHK1TSHRCYP2D6LMNAGMNN
SCHEMBL30506649 0.78 SPHK1 (0.46) SPHK1TSHRCYP2D6LMNAGMNN
SCHEMBL3159822 0.77 LMNA (0.40) LMNA

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
EP-2694481-B1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2015-12-30 EP disclosed
CN-103717582-B As the different * oxazole derivatives of antiseptic-germicide PFIZER INC. (US) 2015-09-30 CN disclosed
EP-2694488-B1 ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2014-11-12 EP disclosed
US-8809333-B2 Imidazole, pyrazole, and triazole derivatives useful as antibacterial agents PFIZER INC. (US) 2014-08-19 US disclosed
US-8748466-B2 Isoxazole derivatives useful as antibacterial agents PFIZER INC. (US) 2014-06-10 US disclosed
EP-2694488-A1 ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-02-12 EP disclosed
EP-2694481-A1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-02-12 EP disclosed
US-20140038975-A1 Imidazole, Pyrazole, and Triazole Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2014-02-06 US disclosed
US-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-01-23 US disclosed
CN-103492368-A imidazole, pyrazole and thiazole derivatives as antibacterial agents PFIZER 2014-01-01 CN disclosed
WO-2012137094-A1 ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-10-11 WO disclosed
WO-2012137099-A1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-10-11 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 (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-20140038975-A1 Imidazole, Pyrazole, and Triazole Derivatives Useful As Antibacterial Agents AADAC, TPX2, NLRP3 SPHK1 2902/4885TRPV1 2235/4885TRPA1 3468/4885
US-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents HAX1, PRXL2A, PRDX1 SPHK1 4139/4885TRPV1 2938/4885TRPA1 4248/4885

“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.