SCHEMBL21702799

SCHEMBL21702799

CC(C)OP(=O)(O)OCCC#N

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.31
ACHE P22303 1/20 0.31
P2RY14 Q15391 1/20 0.30
P2RY2 P41231 1/20 0.30
P2RY4 P51582 1/20 0.30
BTN3A1 O00481 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
SCHEMBL497349 0.82 P2RY14 (0.34) P2RY14P2RY2P2RY4BTN3A1
SCHEMBL25370472 0.81 CTSA (0.38) CTSAACHE
SCHEMBL14189792 0.81 CTSA (0.33) CTSAACHE
SCHEMBL18291794 0.79 BTN3A1 (0.32) P2RY14P2RY2P2RY4BTN3A1
SCHEMBL26316292 0.78 HMGCR (0.36) CTSAACHE
SCHEMBL2032723 0.77 LPAR3 (0.35) ACHEP2RY14P2RY2P2RY4BTN3A1
SCHEMBL2030636 0.77 ACHE (0.38) ACHEBTN3A1
SCHEMBL12563529 0.76 LPAR3 (0.38) CTSAACHEBTN3A1
SCHEMBL27457178 0.76 MVD (0.33)
SCHEMBL11952574 0.76 BTN3A1 (0.38) P2RY14P2RY2P2RY4BTN3A1

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-20230057718-A1 COMPOSITIONS AND METHODS FOR MODULATING COMPLEMENT FACTOR B EXPRESSION IONIS PHARMACEUTICALS, INC. (US) 2023-02-23 US disclosed
US-20210401994-A1 SIRNA CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Ribo Life Science Co., Ltd. (CN) 2021-12-30 US disclosed
US-20210275564-A1 NUCLEIC ACID, PHARMACEUTICAL COMPOSITION AND CONJUGATE CONTAINING NUCLEIC ACID, AND USE THEREOF Suzhou Ribo Life Science Co., Ltd. (CN) 2021-09-09 US disclosed
US-20200048638-A1 COMPOSITIONS AND METHODS FOR MODULATING COMPLEMENT FACTOR B EXPRESSION IONIS PHARMACEUTICALS, INC. (US) 2020-02-13 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-20210401994-A1 SIRNA CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF VARS1, IGSF11, MCTS1 CTSA 3919/4885ACHE 4759/4885P2RY14 4866/4885
US-20210275564-A1 NUCLEIC ACID, PHARMACEUTICAL COMPOSITION AND CONJUGATE CONTAINING NUCLEIC ACID, AND USE THEREOF NSUN2, SLC10A1, BCDIN3D CTSA 3795/4885ACHE 4704/4885P2RY14 2910/4885

“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.