SCHEMBL29934161

SCHEMBL29934161

CCS(=O)(=O)c1cccc(OC[C@@H]2CO2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
TP53 P04637 3/20 0.64
TSHR P16473 3/20 0.64
HIF1A Q16665 2/20 0.64
CYP3A4 P08684 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LMNA P02545 3/20 0.54
PKM P14618 2/20 0.54
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
GLA P06280 1/20 0.42
CYP2C9 P11712 1/20 0.41

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
SCHEMBL21353800 1.00 ALDH1A1 (0.64) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21353803 1.00 ALDH1A1 (0.64) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19707167 0.91 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21352825 0.91 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19707360 0.88 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21353502 0.88 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21353400 0.87 ALDH1A1 (0.62) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19707180 0.87 ALDH1A1 (0.62) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19692846 0.87 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19692795 0.87 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4

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-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2023-01-24 US disclosed
EP-3464292-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2022-09-21 EP 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-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 ALDH1A1 333/4885TP53 4370/4885TSHR 188/4885

“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.