SCHEMBL21054362

SCHEMBL21054362

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TP53 P04637 3/20 0.60
TSHR P16473 3/20 0.60
HIF1A Q16665 2/20 0.60
CYP3A4 P08684 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PKM P14618 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.45
TNNI3K Q59H18 4/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
PPARG P37231 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
SCHEMBL21054365 1.00 ALDH1A1 (0.60) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL31310940 1.00 ALDH1A1 (0.60) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL29650401 0.85 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19692795 0.85 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL29650266 0.85 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19692793 0.85 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19692846 0.85 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL9065839 0.84 ALDH1A1 (0.70) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21353803 0.83 ALDH1A1 (0.64) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21353800 0.83 ALDH1A1 (0.64) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US disclosed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP disclosed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-11339172-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US disclosed
EP-3720858-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2020-10-14 EP disclosed
CN-111699189-A Modulators of beta-3 adrenergic receptors useful for the treatment or prevention of heart failure and disorders associated therewith 艾尼纳制药公司 2020-09-22 CN disclosed
WO-2019113359-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2019-06-13 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 (4 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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 ALDH1A1 700/4885TP53 4829/4885TSHR 639/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 ALDH1A1 682/4885TP53 4827/4885TSHR 591/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 ALDH1A1 682/4885TP53 4827/4885TSHR 591/4885
US-11339172-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 ALDH1A1 700/4885TP53 4829/4885TSHR 639/4885

“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.