SCHEMBL17038780

SCHEMBL17038780

COC(=O)NCCP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.47
PGK2 P07205 1/20 0.47
EPHX1 P07099 1/20 0.47
ANPEP P15144 1/20 0.40
TYMS P04818 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
S1PR2 O95136 5/20 0.35
S1PR4 O95977 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR5 Q9H228 1/20 0.35
LPAR3 Q9UBY5 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL17758575 0.87 EPHX1 (0.53) EPHX1TYMSMMP2S1PR2S1PR4
SCHEMBL17758545 0.85 EPHX1 (0.57) EPHX1TYMSMMP2S1PR2S1PR4
SCHEMBL6512105 0.79 TDP1 (0.53) PGK1PGK2EPHX1ANPEPALDH1A1
SCHEMBL3646499 0.78
SCHEMBL3190326 0.77 EPHX1 (0.61) EPHX1ACHEALDH1A1
SCHEMBL19234898 0.77 PGK1 (0.40) PGK1PGK2ANPEPMMP1S1PR2
Hydrochloric Acid SCHEMBL28284961 0.76 EPHX1 (0.50) EPHX1ACHEALDH1A1
SCHEMBL9543384 0.76 PGK1 (0.50) PGK1PGK2ANPEPTYMSMMP1
SCHEMBL3707808 0.74 EPHX1 (0.59) EPHX1ACHE
SCHEMBL13313064 0.74 EPHX1 (0.65) EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-9732103-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (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-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, CFH PGK1 4349/4885PGK2 4346/4885EPHX1 2074/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH PGK1 4349/4885PGK2 4346/4885EPHX1 2074/4885

“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.