SCHEMBL12640204

SCHEMBL12640204

CC(=CCCP(=O)(O)O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 14/20 1.00
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40

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
SCHEMBL24835115 1.00 BTN3A1 (1.00) BTN3A1FNTAFNTB
SCHEMBL10002547 1.00 BTN3A1 (1.00) BTN3A1FNTAFNTB
SCHEMBL12640203 0.84 BTN3A1 (1.00) BTN3A1FNTAFNTB
SCHEMBL13485653 0.83 BTN3A1 (0.70) BTN3A1
SCHEMBL20411334 0.82 BTN3A1 (0.69) BTN3A1
SCHEMBL13485450 0.81 BTN3A1 (0.68) BTN3A1
SCHEMBL18382997 0.79 BTN3A1 (0.71) BTN3A1FNTAFNTB
SCHEMBL2454018 0.78 BTN3A1 (0.64) BTN3A1FNTAFNTB
SCHEMBL13101858 0.78 BTN3A1 (1.00) BTN3A1FNTAFNTB
SCHEMBL12640196 0.78 BTN3A1 (1.00) BTN3A1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112054-A1 Organophosphorous Compounds for the Activation of Gamma/Delta T Cells BIOAGENCY AG (DE) 2011-05-12 US disclosed
US-7871992-B2 Organophosphorous compounds for the activation of gamma/delta T cells BIOAGENCY AG (DE) 2011-01-18 US disclosed
US-20080249067-A1 Organophosphorous Compounds for the Activation of Gamma/Delta T Cells BIOAGENCY AG (DE) 2008-10-09 US disclosed
US-7399756-B2 Organo-phosphorous compounds for activating gamma/delta T cells BIOAGENCY AG (DE) 2008-07-15 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-20110112054-A1 Organophosphorous Compounds for the Activation of Gamma/Delta T Cells CD4, GZMB, PITPNB BTN3A1 139/4885FNTA 1011/4885FNTB 157/4885
US-20080249067-A1 Organophosphorous Compounds for the Activation of Gamma/Delta T Cells CD4, GZMB, PITPNB BTN3A1 139/4885FNTA 1011/4885FNTB 157/4885

“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.