SCHEMBL4874757

SCHEMBL4874757

C/C(=C\c1ccc(CC(C)C)cc1)CC(O)(P=O)C(CCC(N)=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
ALOX5 P09917 2/20 0.34
ALB P02768 1/20 0.34
ESR1 P03372 1/20 0.34
RARB P10826 1/20 0.34
ADRB3 P13945 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2A P28223 1/20 0.34
NR1I3 Q14994 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
CXCL8 P10145 1/20 0.34
TSHR P16473 1/20 0.34
AKR1C2 P52895 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL4869164 0.88 NPC1 (0.34) CYP2C9NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4871561 0.85 ALDH1A1 (0.32) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4874766 0.84 PTGS1 (0.34) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL4874754 0.84 PTGS1 (0.34) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL4874130 0.78 KMT2A (0.31) KMT2A
SCHEMBL4869162 0.71 RAB9A (0.34) CYP2C9NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4869170 0.71 RAB9A (0.34) CYP2C9NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4874750 0.70 GRM3 (0.39)
SCHEMBL4869123 0.69 TSHR (0.36) CYP2C9TSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL4871572 0.69 ALDH1A1 (0.32) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402576-B2 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2008-07-22 US disclosed
EP-1599487-B1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2007-07-11 EP disclosed
US-20060052616-A1 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2006-03-09 US disclosed
EP-1599487-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE Givaudan SA (CH) 2005-11-30 EP disclosed
WO-2004043971-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2004-05-27 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 (1 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-20060052616-A1 Phosphinic acid analogs of glutamate GLUL, GRIA1, GRM1 PTGS1 2003/4885PTGS2 2802/4885LMNA 4885/4885

“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.