SCHEMBL17224528

SCHEMBL17224528

COc1ccc(P(=O)(O)O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.44
TAS1R3 Q7RTX0 5/20 0.41
TAS1R1 Q7RTX1 5/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ACHE P22303 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
CYP19A1 P11511 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 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
SCHEMBL11650660 0.87 TAS1R3 (0.40) TAS1R3TAS1R1ALOX15LMNATSHR
SCHEMBL4406229 0.84 TSHR (0.48) FBP1ALDH1A1TDP1ALOX15TSHR
SCHEMBL17230083 0.81 TAS1R3 (0.38) TAS1R3TAS1R1ALOX15LMNATSHR
SCHEMBL29505096 0.79 ALDH1A1 (0.53) FBP1ALDH1A1TDP1TLR7LMNA
SCHEMBL11042019 0.79 ALDH1A1 (0.53) FBP1ALDH1A1TDP1TLR7LMNA
Hydrochloric Acid SCHEMBL17493635 0.78 ALDH1A1 (0.52) FBP1ALDH1A1TDP1TLR7LMNA
SCHEMBL3347914 0.77 ALDH1A1 (0.46) FBP1ALDH1A1TDP1LMNATSHR
SCHEMBL664342 0.75 ALDH1A1 (0.44) FBP1ALDH1A1TDP1LMNATSHR
Hydrochloric Acid SCHEMBL10917756 0.75 ALDH1A1 (0.44) FBP1ALDH1A1TDP1LMNATSHR
SCHEMBL11855106 0.74 GRIN2D (0.53) ALDH1A1TDP1LMNATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137470-B1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2021-04-07 EP disclosed
US-9902730-B2 Compounds and compositions as toll-like receptor 7 agonists NOVARTIS AG (CH) 2018-02-27 US disclosed
EP-3137470-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS Novartis AG (CH) 2017-03-08 EP disclosed
US-20170057968-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2017-03-02 US disclosed
WO-2015168269-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2015-11-05 WO 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-20170057968-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS TLR7, TLR3, TLR1 FBP1 3389/4885TAS1R3 555/4885TAS1R1 482/4885

“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.