SCHEMBL20875709

SCHEMBL20875709

CCCCCCC(C)SP(=O)(O)SCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.50
LAP3 P28838 2/20 0.43
SMPD1 P17405 3/20 0.42
GGPS1 O95749 2/20 0.41
S1PR2 O95136 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR4 O95977 4/20 0.40
LPAR2 Q9HBW0 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL7794700 0.80 FDPS (0.50) FDPSLAP3SMPD1GGPS1LPAR2
SCHEMBL8973818 0.78 FDPS (0.48) FDPSGGPS1LPAR2LPAR3
SCHEMBL8973757 0.78 FDPS (0.48) FDPSGGPS1LPAR2LPAR3
SCHEMBL6234653 0.77 FDPS (0.44) FDPSLAP3SMPD1S1PR2S1PR1
SCHEMBL8469648 0.76 LPAR3 (0.50) FDPSGGPS1LPAR2LPAR3
SCHEMBL8468195 0.76 LPAR3 (0.50) FDPSGGPS1LPAR2LPAR3
SCHEMBL649060 0.76 LPAR3 (0.50) FDPSGGPS1LPAR2LPAR3
SCHEMBL8467723 0.76 LPAR3 (0.50) FDPSGGPS1LPAR2LPAR3
SCHEMBL12555231 0.76 LPAR3 (0.50) FDPSGGPS1LPAR2LPAR3
SCHEMBL8469031 0.76 LPAR3 (0.50) FDPSGGPS1LPAR2LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3450440-B1 BENZOTRIAZOLE DERIVATIVE, MANUFACTURING METHOD THEREFOR AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2022-05-18 EP disclosed
US-10822359-B2 Benzotriazole derivative, preparation process and the use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2020-11-03 US disclosed
US-20190106446-A1 BENZOTRIAZOLE DERIVATIVE, PREPARATION PROCESS AND THE USE THEREOF RESEARCH INSTITUTE OF PETROLEUM PROCESSING, SINOPEC (CN) 2019-04-11 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-10822359-B2 Benzotriazole derivative, preparation process and the use thereof SULT1A1, TAF5, TAF1 FDPS 4163/4885LAP3 4740/4885SMPD1 4841/4885
US-20190106446-A1 BENZOTRIAZOLE DERIVATIVE, PREPARATION PROCESS AND THE USE THEREOF SULT1A1, TAF5, TAF1 FDPS 4163/4885LAP3 4740/4885SMPD1 4841/4885

“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.