SCHEMBL91054

SCHEMBL91054

CC1(C)OC2C(O1)[C@@H](CO)O[C@H]2n1cnc2c(Cl)ncnc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.77
PI4K2B Q8TCG2 2/20 0.77
PI4K2A Q9BTU6 2/20 0.77
PI4KB Q9UBF8 2/20 0.77
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RXFP1 Q9HBX9 1/20 0.53
P2RX1 P51575 1/20 0.51
P2RX3 P56373 1/20 0.51
P2RX4 Q99571 1/20 0.51
SLC29A1 Q99808 3/20 0.50
GAA P10253 1/20 0.50
OR51E2 Q9H255 1/20 0.49
AMD1 P17707 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
DPP4 P27487 1/20 0.47
MEN1 O00255 1/20 0.47
SLC28A1 O00337 1/20 0.47
MAP3K7 O43318 1/20 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
SCHEMBL30942645 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12629188 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL1795588 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL66731 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL1757060 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL17568785 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL7735012 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL15395424 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL21882960 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL5672710 0.90 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ACADEMIA SINICA (TW) 2023-09-12 US disclosed
EP-3573996-B1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2022-06-15 EP disclosed
WO-2018140734-A1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2018-08-02 WO disclosed
US-8129106-B2 Sequence-specific detection of methylation in biomolecules Max-Planck-Geselischaft zur Forderung der Wissenschaften E.V. (DE) 2012-03-06 US disclosed
US-20110165564-A1 SEQUENCE-SPECIFIC DETECTION OF METHYLATION IN BIOMOLECULES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2011-07-07 US disclosed
US-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes BIOVITRUM AB (PUBL) (SE) 2008-09-11 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 (3 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-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes ADORA3, ADORA2B, P2RX3 PI4KA 2650/4885PI4K2B 2032/4885PI4K2A 2407/4885
US-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ADORA2B, ADORA1, ADORA3 PI4KA 3007/4885PI4K2B 3300/4885PI4K2A 2830/4885
US-20110165564-A1 SEQUENCE-SPECIFIC DETECTION OF METHYLATION IN BIOMOLECULES DNMT1, MAT2B, AHCY PI4KA 4743/4885PI4K2B 4739/4885PI4K2A 4799/4885

“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.