SCHEMBL91094

SCHEMBL91094

CP(=O)(O)OP(=O)(O)OCCN

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.41
GABBR2 O75899 2/20 0.39
GABBR1 Q9UBS5 2/20 0.39
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
THPO P40225 1/20 0.37
PLA2G2C Q5R387 1/20 0.36
MVD P53602 2/20 0.36
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
SAT1 P21673 1/20 0.35
ITPR3 Q14573 1/20 0.34
ITPR1 Q14643 1/20 0.34
ALDH1A1 P00352 1/20 0.32
PLA2G2D Q9UNK4 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
SCHEMBL63984 0.82 BTN3A1 (0.53) BTN3A1MVDBLMITPR3ITPR1
SCHEMBL2606244 0.81
SCHEMBL11408483 0.81 PLA2G2C (0.41) BTN3A1GABBR2GABBR1CYP1A2TSHR
SCHEMBL19115076 0.81 BTN3A1 (0.44) BTN3A1GABBR2GABBR1CYP1A2TSHR
SCHEMBL30834684 0.80 BTN3A1 (0.38) BTN3A1GABBR2GABBR1PLA2G2CMVD
SCHEMBL18736592 0.78 BTN3A1 (0.37) BTN3A1GABBR2GABBR1PLA2G2CMVD
SCHEMBL10881853 0.78 BTN3A1 (0.50) BTN3A1MVDBLMITPR3ITPR1
SCHEMBL12583935 0.77
SCHEMBL11952605 0.77 SAT1 (0.42) BTN3A1MVDSAT1
SCHEMBL19103663 0.76 PLA2G2C (0.39) BTN3A1GABBR2GABBR1PLA2G2CMVD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330249-A1 ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION OF BRM AND METHODS THEREOF GENENTECH, INC. (US) 2023-10-19 US disclosed
US-8128942-B2 Anti-sepsis conjugate vaccine ENDOBIOLOGICS, INCORPORATED (US) 2012-03-06 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 (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-20230330249-A1 ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION OF BRM AND METHODS THEREOF ADRM1, CD79B, BRDT BTN3A1 100/4885GABBR2 652/4885GABBR1 1474/4885

“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.