SCHEMBL29650253

SCHEMBL29650253

O=S(=O)(Cl)c1cnc2c(c1)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
GAA P10253 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
FLT3 P36888 1/20 0.35
CDK9 P50750 1/20 0.35
CDK6 Q00534 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL19693184 1.00 ADRA2A (0.41) ADRA2AADRA2BADRA2CGAACCNT1
SCHEMBL28304436 0.82 CA1 (0.49) ADRA2AADRA2BADRA2CGAACCNT1
Hydrochloric Acid SCHEMBL28291820 0.81 ADRA2A (0.47) ADRA2AADRA2BADRA2CGAACCNT1
SCHEMBL18007656 0.79 CA1 (0.53) ADRA2AADRA2BADRA2CCCNT1CDK1
SCHEMBL31135860 0.79 CA1 (0.53) ADRA2AADRA2BADRA2CCCNT1CDK1
SCHEMBL19707192 0.75 GRM1 (0.34) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL30199232 0.75 GRM1 (0.34) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL2693254 0.70 ADRA2A (0.47) ADRA2AADRA2BADRA2CGAASMN1; SMN2
SCHEMBL25247139 0.70 KEAP1 (0.42) GAAALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL2330175 0.69 CA12 (0.60) LOXL2ALDH1A1SMN1; SMN2CA12CA1

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
CN-109563103-B Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2022-05-27 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 (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 ADRA2A 7/4885ADRA2B 5/4885ADRA2C 4/4885

“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.