SCHEMBL21612239

SCHEMBL21612239

O=P(O)(O)CCC=C(Cl)Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.52
TYMS P04818 1/20 0.41
ALDH1A1 P00352 1/20 0.38
BBOX1 O75936 2/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
LPAR3 Q9UBY5 3/20 0.32
LPAR2 Q9HBW0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MMP2 P08253 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM4 Q14833 1/20 0.31
ANPEP P15144 1/20 0.30

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
SCHEMBL11824106 0.80 BTN3A1 (0.59) BTN3A1TYMSALDH1A1BBOX1LPAR3
SCHEMBL2454018 0.74 BTN3A1 (0.64) BTN3A1
SCHEMBL20699858 0.74 BTN3A1 (0.52) BTN3A1TYMSALDH1A1BBOX1LMNA
SCHEMBL10911496 0.72
SCHEMBL10002551 0.70 BTN3A1 (0.59) BTN3A1TYMSALDH1A1LMNACYP3A4
SCHEMBL3718509 0.69
SCHEMBL24835115 0.69 BTN3A1 (1.00) BTN3A1
SCHEMBL1157271 0.69 LPAR3 (0.44) BTN3A1LPAR3LPAR2
SCHEMBL10002547 0.69 BTN3A1 (1.00) BTN3A1
SCHEMBL12640204 0.69 BTN3A1 (1.00) BTN3A1

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-20240261426-A1 CONJUGATES COMPRISING PHOSPHOANTIGENS AND THEIR USE IN THERAPY BYONDIS B.V. (NL) 2024-08-08 US disclosed
CN-117794581-A Conjugates comprising phosphoantigen and their use in therapy 拜奥迪斯私人有限公司 2024-03-29 CN disclosed
US-20210171552-A1 PHOSPHOANTIGEN PRODRUG COMPOUNDS UNIVERSITY OF BIRMINGHAM (GB) 2021-06-10 US disclosed
EP-3818064-A1 PHOSPHOANTIGEN PRODRUG COMPOUNDS University College Cardiff Consultants, Ltd. (GB) 2021-05-12 EP disclosed
WO-2020008189-A1 PHOSPHOANTIGEN PRODRUG COMPOUNDS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD (GB) 2020-01-09 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-20240261426-A1 CONJUGATES COMPRISING PHOSPHOANTIGENS AND THEIR USE IN THERAPY CD47, PTMS, PAG1 BTN3A1 458/4885TYMS 276/4885ALDH1A1 4466/4885
US-20210171552-A1 PHOSPHOANTIGEN PRODRUG COMPOUNDS CD4, CD47, CD69 BTN3A1 711/4885TYMS 123/4885ALDH1A1 3844/4885

“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.