SCHEMBL12379185

SCHEMBL12379185

COCOc1ccccc1C(=O)CS(=O)(=O)N(C[C@H]1O[C@@H](n2cnc3c(NC(=O)OC(C)(C)C)ncnc32)C2OC(C)(C)O[C@H]21)C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ P2RY12 Q9H244 6/20 0.36
▸ P2RX1 P51575 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ BMPR1B O00238 1/20 0.35

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
SCHEMBL12379225 0.90 RXFP1 (0.37) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379183 0.89 RXFP1 (0.39) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20711275 0.83 RXFP1 (0.48) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379243 0.80 PI4KA (0.40) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20711399 0.79 RXFP1 (0.42) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20699829 0.79 RXFP1 (0.48) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379242 0.79 P2RY12 (0.42) PI4KAPI4K2BPI4K2API4KBP2RY12
SCHEMBL22133775 0.78 P2RY12 (0.39) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL29695801 0.78 P2RY12 (0.39) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL24450929 0.78 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB

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-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 — — US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 — — 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 RXFP1 141/4885PI4KA 4490/4885PI4K2B 3867/4885

“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.

Send feedback