SCHEMBL19922943

SCHEMBL19922943

CC1(C)O[C@@H]2[C@@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.64
PI4K2B Q8TCG2 1/20 0.64
PI4K2A Q9BTU6 1/20 0.64
PI4KB Q9UBF8 1/20 0.64
HPGD P15428 2/20 0.64
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HINT1 P49773 3/20 0.52
STING1 Q86WV6 3/20 0.50
NT5E P21589 1/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
MAPK14 Q16539 2/20 0.47

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
SCHEMBL1762946 1.00 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBHPGD
SCHEMBL2675379 1.00 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBHPGD
SCHEMBL19938131 1.00 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBHPGD
SCHEMBL19941365 1.00 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBHPGD
SCHEMBL19938129 1.00 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBHPGD
SCHEMBL19941615 1.00 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBHPGD
SCHEMBL10118076 0.89 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBHPGD
SCHEMBL20149809 0.87 HPGD (0.73) HPGDHINT1STING1NT5EPDE3B
SCHEMBL2583453 0.87 HPGD (0.73) HPGDHINT1STING1NT5EPDE3B
SCHEMBL2675833 0.86 RXFP1 (0.57) PI4KAPI4K2BPI4K2API4KBHPGD

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
CN-111184702-A Synthesis of β -CD-PEG-G molecule capable of delaying tumor growth and application of β -CD-PEG-G molecule as drug delivery system 滨州医学院 2020-05-22 CN disclosed
US-10513520-B2 Sulfamide and sulfamate inhibitors of hHint1 REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-12-24 US disclosed
US-20180065965-A1 SULFAMIDE AND SULFAMATE INHIBITORS OF hHint1 REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-08 US disclosed
CN-105524609-A Fluorescent probe GH and preparation method and application thereof DALIAN INST CHEMICAL PHYSICS CAS 2016-04-27 CN 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-10513520-B2 Sulfamide and sulfamate inhibitors of hHint1 GRIN1, OPRL1, GRIN3A PI4KA 4268/4885PI4K2B 4189/4885PI4K2A 4125/4885
US-20180065965-A1 SULFAMIDE AND SULFAMATE INHIBITORS OF hHint1 GRIN1, GRIA1, GRIN2A PI4KA 3944/4885PI4K2B 3784/4885PI4K2A 3650/4885

“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.